Program PWSCF v.5.1.1 starts on 23Oct2015 at 3:24:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2HgSe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 106 44 12 3501 924 139 Max 107 45 13 3504 946 142 Sum 5109 2121 595 168109 44867 6723 bravais-lattice index = 14 lattice parameter (alat) = 12.6701 a.u. unit-cell volume = 1174.7594 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.670069 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638624 celldm(5)= -0.638624 celldm(6)= 0.277248 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.277248 0.960798 0.000000 ) a(3) = ( -0.638624 -0.480399 0.601146 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.288560 0.831745 ) b(2) = ( 0.000000 1.040801 0.831745 ) b(3) = ( 0.000000 0.000000 1.663490 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0213268), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0426536), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0639804), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0853072), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1066340), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1279608), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1492876), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1706144), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1919412), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2132680), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2345948), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2559216), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2772484), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2985752), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3199020), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3412288), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3625556), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3838824), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4052092), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4265360), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4478628), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4691896), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4905164), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5118432), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5331700), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5544968), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5758236), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5971504), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6184772), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6398040), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6611308), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6824576), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.7037844), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7251112), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7464380), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7677648), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7890915), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8104184), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8317452), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8317452), wk = 0.0036364 k( 42) = ( -0.0117889 0.0156717 0.8317452), wk = 0.0036364 k( 43) = ( -0.0235778 0.0313434 0.8317452), wk = 0.0036364 k( 44) = ( -0.0353667 0.0470151 0.8317452), wk = 0.0036364 k( 45) = ( -0.0471556 0.0626868 0.8317452), wk = 0.0036364 k( 46) = ( -0.0589445 0.0783585 0.8317452), wk = 0.0036364 k( 47) = ( -0.0707334 0.0940302 0.8317452), wk = 0.0036364 k( 48) = ( -0.0825223 0.1097019 0.8317452), wk = 0.0036364 k( 49) = ( -0.0943111 0.1253735 0.8317452), wk = 0.0036364 k( 50) = ( -0.1061001 0.1410452 0.8317452), wk = 0.0036364 k( 51) = ( -0.1178889 0.1567169 0.8317452), wk = 0.0036364 k( 52) = ( -0.1296778 0.1723886 0.8317452), wk = 0.0036364 k( 53) = ( -0.1414667 0.1880603 0.8317452), wk = 0.0036364 k( 54) = ( -0.1414667 0.1880603 0.8317452), wk = 0.0036364 k( 55) = ( -0.1504301 0.1999758 0.8168347), wk = 0.0036364 k( 56) = ( -0.1593934 0.2118913 0.8019243), wk = 0.0036364 k( 57) = ( -0.1683567 0.2238068 0.7870139), wk = 0.0036364 k( 58) = ( -0.1773201 0.2357223 0.7721035), wk = 0.0036364 k( 59) = ( -0.1862834 0.2476378 0.7571931), wk = 0.0036364 k( 60) = ( -0.1952467 0.2595533 0.7422827), wk = 0.0036364 k( 61) = ( -0.2042101 0.2714688 0.7273722), wk = 0.0036364 k( 62) = ( -0.2131734 0.2833843 0.7124618), wk = 0.0036364 k( 63) = ( -0.2221367 0.2952998 0.6975514), wk = 0.0036364 k( 64) = ( -0.2311001 0.3072153 0.6826410), wk = 0.0036364 k( 65) = ( -0.2400634 0.3191308 0.6677306), wk = 0.0036364 k( 66) = ( -0.2490267 0.3310463 0.6528202), wk = 0.0036364 k( 67) = ( -0.2579900 0.3429618 0.6379098), wk = 0.0036364 k( 68) = ( -0.2669534 0.3548773 0.6229993), wk = 0.0036364 k( 69) = ( -0.2759167 0.3667928 0.6080889), wk = 0.0036364 k( 70) = ( -0.2848800 0.3787083 0.5931785), wk = 0.0036364 k( 71) = ( -0.2938434 0.3906238 0.5782681), wk = 0.0036364 k( 72) = ( -0.3028067 0.4025393 0.5633577), wk = 0.0036364 k( 73) = ( -0.3117700 0.4144548 0.5484473), wk = 0.0036364 k( 74) = ( -0.3207334 0.4263703 0.5335368), wk = 0.0036364 k( 75) = ( -0.3207334 0.4263703 0.5335368), wk = 0.0036364 k( 76) = ( -0.3118241 0.4145267 0.5187164), wk = 0.0036364 k( 77) = ( -0.3029148 0.4026831 0.5038959), wk = 0.0036364 k( 78) = ( -0.2940056 0.3908395 0.4890754), wk = 0.0036364 k( 79) = ( -0.2850963 0.3789959 0.4742550), wk = 0.0036364 k( 80) = ( -0.2761871 0.3671522 0.4594345), wk = 0.0036364 k( 81) = ( -0.2672778 0.3553086 0.4446140), wk = 0.0036364 k( 82) = ( -0.2583685 0.3434650 0.4297936), wk = 0.0036364 k( 83) = ( -0.2494593 0.3316214 0.4149731), wk = 0.0036364 k( 84) = ( -0.2405500 0.3197778 0.4001526), wk = 0.0036364 k( 85) = ( -0.2316408 0.3079341 0.3853322), wk = 0.0036364 k( 86) = ( -0.2227315 0.2960905 0.3705117), wk = 0.0036364 k( 87) = ( -0.2138222 0.2842469 0.3556912), wk = 0.0036364 k( 88) = ( -0.2049130 0.2724033 0.3408708), wk = 0.0036364 k( 89) = ( -0.1960037 0.2605597 0.3260503), wk = 0.0036364 k( 90) = ( -0.1870945 0.2487160 0.3112298), wk = 0.0036364 k( 91) = ( -0.1781852 0.2368724 0.2964094), wk = 0.0036364 k( 92) = ( -0.1692759 0.2250288 0.2815889), wk = 0.0036364 k( 93) = ( -0.1603667 0.2131852 0.2667684), wk = 0.0036364 k( 94) = ( -0.1514574 0.2013415 0.2519480), wk = 0.0036364 k( 95) = ( -0.1425482 0.1894979 0.2371275), wk = 0.0036364 k( 96) = ( -0.1336389 0.1776543 0.2223070), wk = 0.0036364 k( 97) = ( -0.1247296 0.1658107 0.2074865), wk = 0.0036364 k( 98) = ( -0.1158204 0.1539671 0.1926661), wk = 0.0036364 k( 99) = ( -0.1069111 0.1421234 0.1778456), wk = 0.0036364 k( 100) = ( -0.0980019 0.1302798 0.1630251), wk = 0.0036364 k( 101) = ( -0.0890926 0.1184362 0.1482047), wk = 0.0036364 k( 102) = ( -0.0801833 0.1065926 0.1333842), wk = 0.0036364 k( 103) = ( -0.0712741 0.0947490 0.1185637), wk = 0.0036364 k( 104) = ( -0.0623648 0.0829053 0.1037433), wk = 0.0036364 k( 105) = ( -0.0534556 0.0710617 0.0889228), wk = 0.0036364 k( 106) = ( -0.0445463 0.0592181 0.0741023), wk = 0.0036364 k( 107) = ( -0.0356370 0.0473745 0.0592819), wk = 0.0036364 k( 108) = ( -0.0267278 0.0355309 0.0444614), wk = 0.0036364 k( 109) = ( -0.0178185 0.0236872 0.0296409), wk = 0.0036364 k( 110) = ( -0.0089093 0.0118436 0.0148205), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0125374 0.0000000), wk = 0.0036364 k( 114) = ( 0.0333333 0.0250747 0.0000000), wk = 0.0036364 k( 115) = ( 0.0500000 0.0376121 0.0000000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0501494 0.0000000), wk = 0.0036364 k( 117) = ( 0.0833333 0.0626868 0.0000000), wk = 0.0036364 k( 118) = ( 0.1000000 0.0752241 0.0000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.0877615 0.0000000), wk = 0.0036364 k( 120) = ( 0.1333333 0.1002988 0.0000000), wk = 0.0036364 k( 121) = ( 0.1500000 0.1128362 0.0000000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1253735 0.0000000), wk = 0.0036364 k( 123) = ( 0.1833333 0.1379109 0.0000000), wk = 0.0036364 k( 124) = ( 0.2000000 0.1504483 0.0000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.1629856 0.0000000), wk = 0.0036364 k( 126) = ( 0.2333333 0.1755230 0.0000000), wk = 0.0036364 k( 127) = ( 0.2500000 0.1880603 0.0000000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2005977 0.0000000), wk = 0.0036364 k( 129) = ( 0.2833333 0.2131350 0.0000000), wk = 0.0036364 k( 130) = ( 0.3000000 0.2256724 0.0000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.2382097 0.0000000), wk = 0.0036364 k( 132) = ( 0.3333333 0.2507471 0.0000000), wk = 0.0036364 k( 133) = ( 0.3500000 0.2632844 0.0000000), wk = 0.0036364 k( 134) = ( 0.3666667 0.2758218 0.0000000), wk = 0.0036364 k( 135) = ( 0.3833333 0.2883591 0.0000000), wk = 0.0036364 k( 136) = ( 0.4000000 0.3008965 0.0000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.3134339 0.0000000), wk = 0.0036364 k( 138) = ( 0.4333333 0.3259712 0.0000000), wk = 0.0036364 k( 139) = ( 0.4500000 0.3385086 0.0000000), wk = 0.0036364 k( 140) = ( 0.4666667 0.3510459 0.0000000), wk = 0.0036364 k( 141) = ( 0.4833333 0.3635833 0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3761206 0.0000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.3761206 0.0000000), wk = 0.0036364 k( 144) = ( 0.4910367 0.3880361 0.0149104), wk = 0.0036364 k( 145) = ( 0.4820733 0.3999516 0.0298208), wk = 0.0036364 k( 146) = ( 0.4731100 0.4118671 0.0447313), wk = 0.0036364 k( 147) = ( 0.4641467 0.4237826 0.0596417), wk = 0.0036364 k( 148) = ( 0.4551833 0.4356981 0.0745521), wk = 0.0036364 k( 149) = ( 0.4462200 0.4476136 0.0894625), wk = 0.0036364 k( 150) = ( 0.4372567 0.4595291 0.1043729), wk = 0.0036364 k( 151) = ( 0.4282934 0.4714446 0.1192833), wk = 0.0036364 k( 152) = ( 0.4193300 0.4833601 0.1341937), wk = 0.0036364 k( 153) = ( 0.4103667 0.4952756 0.1491042), wk = 0.0036364 k( 154) = ( 0.4014033 0.5071911 0.1640146), wk = 0.0036364 k( 155) = ( 0.3924400 0.5191066 0.1789250), wk = 0.0036364 k( 156) = ( 0.3834767 0.5310221 0.1938354), wk = 0.0036364 k( 157) = ( 0.3745134 0.5429377 0.2087458), wk = 0.0036364 k( 158) = ( 0.3655500 0.5548532 0.2236562), wk = 0.0036364 k( 159) = ( 0.3565867 0.5667687 0.2385667), wk = 0.0036364 k( 160) = ( 0.3476234 0.5786842 0.2534771), wk = 0.0036364 k( 161) = ( 0.3386600 0.5905997 0.2683875), wk = 0.0036364 k( 162) = ( 0.3296967 0.6025152 0.2832979), wk = 0.0036364 k( 163) = ( 0.3207334 0.6144307 0.2982083), wk = 0.0036364 k( 164) = ( 0.3207334 0.6144307 0.2982083), wk = 0.0036364 k( 165) = ( 0.3018667 0.6088995 0.3051297), wk = 0.0036364 k( 166) = ( 0.2830000 0.6033683 0.3120512), wk = 0.0036364 k( 167) = ( 0.2641334 0.5978371 0.3189726), wk = 0.0036364 k( 168) = ( 0.2452667 0.5923059 0.3258940), wk = 0.0036364 k( 169) = ( 0.2264000 0.5867747 0.3328155), wk = 0.0036364 k( 170) = ( 0.2075334 0.5812435 0.3397369), wk = 0.0036364 k( 171) = ( 0.1886667 0.5757124 0.3466583), wk = 0.0036364 k( 172) = ( 0.1698000 0.5701812 0.3535797), wk = 0.0036364 k( 173) = ( 0.1509333 0.5646500 0.3605012), wk = 0.0036364 k( 174) = ( 0.1320667 0.5591188 0.3674226), wk = 0.0036364 k( 175) = ( 0.1132000 0.5535876 0.3743440), wk = 0.0036364 k( 176) = ( 0.0943333 0.5480564 0.3812654), wk = 0.0036364 k( 177) = ( 0.0754667 0.5425253 0.3881869), wk = 0.0036364 k( 178) = ( 0.0566000 0.5369941 0.3951083), wk = 0.0036364 k( 179) = ( 0.0377333 0.5314629 0.4020297), wk = 0.0036364 k( 180) = ( 0.0188667 0.5259317 0.4089512), wk = 0.0036364 k( 181) = ( 0.0000000 0.5204005 0.4158726), wk = 0.0036364 k( 182) = ( 0.0000000 0.5204005 0.4158726), wk = 0.0036364 k( 183) = ( 0.0089286 0.5085312 0.4307252), wk = 0.0036364 k( 184) = ( 0.0178571 0.4966619 0.4455778), wk = 0.0036364 k( 185) = ( 0.0267857 0.4847926 0.4604303), wk = 0.0036364 k( 186) = ( 0.0357143 0.4729233 0.4752830), wk = 0.0036364 k( 187) = ( 0.0446429 0.4610540 0.4901355), wk = 0.0036364 k( 188) = ( 0.0535714 0.4491847 0.5049881), wk = 0.0036364 k( 189) = ( 0.0625000 0.4373155 0.5198407), wk = 0.0036364 k( 190) = ( 0.0714286 0.4254462 0.5346933), wk = 0.0036364 k( 191) = ( 0.0803571 0.4135769 0.5495459), wk = 0.0036364 k( 192) = ( 0.0892857 0.4017076 0.5643985), wk = 0.0036364 k( 193) = ( 0.0982143 0.3898383 0.5792511), wk = 0.0036364 k( 194) = ( 0.1071429 0.3779690 0.5941037), wk = 0.0036364 k( 195) = ( 0.1160714 0.3660997 0.6089563), wk = 0.0036364 k( 196) = ( 0.1250000 0.3542304 0.6238089), wk = 0.0036364 k( 197) = ( 0.1339286 0.3423611 0.6386615), wk = 0.0036364 k( 198) = ( 0.1428571 0.3304918 0.6535140), wk = 0.0036364 k( 199) = ( 0.1517857 0.3186225 0.6683666), wk = 0.0036364 k( 200) = ( 0.1607143 0.3067532 0.6832192), wk = 0.0036364 k( 201) = ( 0.1696429 0.2948839 0.6980718), wk = 0.0036364 k( 202) = ( 0.1785714 0.2830147 0.7129244), wk = 0.0036364 k( 203) = ( 0.1875000 0.2711454 0.7277770), wk = 0.0036364 k( 204) = ( 0.1964286 0.2592761 0.7426296), wk = 0.0036364 k( 205) = ( 0.2053571 0.2474068 0.7574822), wk = 0.0036364 k( 206) = ( 0.2142857 0.2355375 0.7723348), wk = 0.0036364 k( 207) = ( 0.2232143 0.2236682 0.7871874), wk = 0.0036364 k( 208) = ( 0.2321429 0.2117989 0.8020400), wk = 0.0036364 k( 209) = ( 0.2410714 0.1999296 0.8168926), wk = 0.0036364 k( 210) = ( 0.2500000 0.1880603 0.8317452), wk = 0.0036364 k( 211) = ( 0.2500000 0.1880603 0.8317452), wk = 0.0036364 k( 212) = ( 0.2631579 0.1979582 0.8193594), wk = 0.0036364 k( 213) = ( 0.2763158 0.2078561 0.8069737), wk = 0.0036364 k( 214) = ( 0.2894737 0.2177540 0.7945880), wk = 0.0036364 k( 215) = ( 0.3026316 0.2276520 0.7822023), wk = 0.0036364 k( 216) = ( 0.3157895 0.2375499 0.7698166), wk = 0.0036364 k( 217) = ( 0.3289474 0.2474478 0.7574309), wk = 0.0036364 k( 218) = ( 0.3421053 0.2573457 0.7450452), wk = 0.0036364 k( 219) = ( 0.3552632 0.2672436 0.7326595), wk = 0.0036364 k( 220) = ( 0.3684211 0.2771415 0.7202737), wk = 0.0036364 k( 221) = ( 0.3815789 0.2870394 0.7078880), wk = 0.0036364 k( 222) = ( 0.3947368 0.2969373 0.6955023), wk = 0.0036364 k( 223) = ( 0.4078947 0.3068353 0.6831166), wk = 0.0036364 k( 224) = ( 0.4210526 0.3167332 0.6707309), wk = 0.0036364 k( 225) = ( 0.4342105 0.3266311 0.6583452), wk = 0.0036364 k( 226) = ( 0.4473684 0.3365290 0.6459595), wk = 0.0036364 k( 227) = ( 0.4605263 0.3464269 0.6335738), wk = 0.0036364 k( 228) = ( 0.4736842 0.3563248 0.6211881), wk = 0.0036364 k( 229) = ( 0.4868421 0.3662227 0.6088023), wk = 0.0036364 k( 230) = ( 0.5000000 0.3761206 0.5964166), wk = 0.0036364 k( 231) = ( 0.5000000 0.3761206 0.5964166), wk = 0.0036364 k( 232) = ( 0.5000000 0.3761206 0.5751160), wk = 0.0036364 k( 233) = ( 0.5000000 0.3761206 0.5538154), wk = 0.0036364 k( 234) = ( 0.5000000 0.3761206 0.5325148), wk = 0.0036364 k( 235) = ( 0.5000000 0.3761206 0.5112142), wk = 0.0036364 k( 236) = ( 0.5000000 0.3761206 0.4899136), wk = 0.0036364 k( 237) = ( 0.5000000 0.3761206 0.4686131), wk = 0.0036364 k( 238) = ( 0.5000000 0.3761206 0.4473125), wk = 0.0036364 k( 239) = ( 0.5000000 0.3761206 0.4260119), wk = 0.0036364 k( 240) = ( 0.5000000 0.3761206 0.4047113), wk = 0.0036364 k( 241) = ( 0.5000000 0.3761206 0.3834107), wk = 0.0036364 k( 242) = ( 0.5000000 0.3761206 0.3621101), wk = 0.0036364 k( 243) = ( 0.5000000 0.3761206 0.3408095), wk = 0.0036364 k( 244) = ( 0.5000000 0.3761206 0.3195089), wk = 0.0036364 k( 245) = ( 0.5000000 0.3761206 0.2982083), wk = 0.0036364 k( 246) = ( 0.5000000 0.3761206 0.2769077), wk = 0.0036364 k( 247) = ( 0.5000000 0.3761206 0.2556071), wk = 0.0036364 k( 248) = ( 0.5000000 0.3761206 0.2343065), wk = 0.0036364 k( 249) = ( 0.5000000 0.3761206 0.2130059), wk = 0.0036364 k( 250) = ( 0.5000000 0.3761206 0.1917053), wk = 0.0036364 k( 251) = ( 0.5000000 0.3761206 0.1704048), wk = 0.0036364 k( 252) = ( 0.5000000 0.3761206 0.1491042), wk = 0.0036364 k( 253) = ( 0.5000000 0.3761206 0.1278036), wk = 0.0036364 k( 254) = ( 0.5000000 0.3761206 0.1065030), wk = 0.0036364 k( 255) = ( 0.5000000 0.3761206 0.0852024), wk = 0.0036364 k( 256) = ( 0.5000000 0.3761206 0.0639018), wk = 0.0036364 k( 257) = ( 0.5000000 0.3761206 0.0426012), wk = 0.0036364 k( 258) = ( 0.5000000 0.3761206 0.0213006), wk = 0.0036364 k( 259) = ( 0.5000000 0.3761206 0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8317452), wk = 0.0036364 k( 261) = ( 0.0166667 0.0125374 0.8317452), wk = 0.0036364 k( 262) = ( 0.0333333 0.0250747 0.8317452), wk = 0.0036364 k( 263) = ( 0.0500000 0.0376121 0.8317452), wk = 0.0036364 k( 264) = ( 0.0666667 0.0501494 0.8317452), wk = 0.0036364 k( 265) = ( 0.0833333 0.0626868 0.8317452), wk = 0.0036364 k( 266) = ( 0.1000000 0.0752241 0.8317452), wk = 0.0036364 k( 267) = ( 0.1166667 0.0877615 0.8317452), wk = 0.0036364 k( 268) = ( 0.1333333 0.1002988 0.8317452), wk = 0.0036364 k( 269) = ( 0.1500000 0.1128362 0.8317452), wk = 0.0036364 k( 270) = ( 0.1666667 0.1253735 0.8317452), wk = 0.0036364 k( 271) = ( 0.1833333 0.1379109 0.8317452), wk = 0.0036364 k( 272) = ( 0.2000000 0.1504483 0.8317452), wk = 0.0036364 k( 273) = ( 0.2166667 0.1629856 0.8317452), wk = 0.0036364 k( 274) = ( 0.2333333 0.1755230 0.8317452), wk = 0.0036364 k( 275) = ( 0.2500000 0.1880603 0.8317452), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( -0.0117889 0.0117889 0.5000000), wk = 0.0036364 k( 43) = ( -0.0235778 0.0235778 0.5000000), wk = 0.0036364 k( 44) = ( -0.0353667 0.0353667 0.5000000), wk = 0.0036364 k( 45) = ( -0.0471556 0.0471556 0.5000000), wk = 0.0036364 k( 46) = ( -0.0589445 0.0589445 0.5000000), wk = 0.0036364 k( 47) = ( -0.0707334 0.0707334 0.5000000), wk = 0.0036364 k( 48) = ( -0.0825223 0.0825223 0.5000000), wk = 0.0036364 k( 49) = ( -0.0943111 0.0943112 0.5000000), wk = 0.0036364 k( 50) = ( -0.1061001 0.1061001 0.5000000), wk = 0.0036364 k( 51) = ( -0.1178889 0.1178889 0.5000000), wk = 0.0036364 k( 52) = ( -0.1296778 0.1296778 0.5000000), wk = 0.0036364 k( 53) = ( -0.1414667 0.1414667 0.5000000), wk = 0.0036364 k( 54) = ( -0.1414667 0.1414667 0.5000000), wk = 0.0036364 k( 55) = ( -0.1504301 0.1504301 0.4910367), wk = 0.0036364 k( 56) = ( -0.1593934 0.1593934 0.4820733), wk = 0.0036364 k( 57) = ( -0.1683567 0.1683567 0.4731100), wk = 0.0036364 k( 58) = ( -0.1773201 0.1773201 0.4641467), wk = 0.0036364 k( 59) = ( -0.1862834 0.1862834 0.4551833), wk = 0.0036364 k( 60) = ( -0.1952467 0.1952467 0.4462200), wk = 0.0036364 k( 61) = ( -0.2042101 0.2042101 0.4372567), wk = 0.0036364 k( 62) = ( -0.2131734 0.2131734 0.4282934), wk = 0.0036364 k( 63) = ( -0.2221367 0.2221367 0.4193300), wk = 0.0036364 k( 64) = ( -0.2311001 0.2311001 0.4103667), wk = 0.0036364 k( 65) = ( -0.2400634 0.2400634 0.4014033), wk = 0.0036364 k( 66) = ( -0.2490267 0.2490267 0.3924400), wk = 0.0036364 k( 67) = ( -0.2579900 0.2579900 0.3834767), wk = 0.0036364 k( 68) = ( -0.2669534 0.2669534 0.3745133), wk = 0.0036364 k( 69) = ( -0.2759167 0.2759167 0.3655500), wk = 0.0036364 k( 70) = ( -0.2848800 0.2848800 0.3565867), wk = 0.0036364 k( 71) = ( -0.2938434 0.2938434 0.3476234), wk = 0.0036364 k( 72) = ( -0.3028067 0.3028067 0.3386600), wk = 0.0036364 k( 73) = ( -0.3117700 0.3117700 0.3296967), wk = 0.0036364 k( 74) = ( -0.3207334 0.3207334 0.3207334), wk = 0.0036364 k( 75) = ( -0.3207334 0.3207334 0.3207334), wk = 0.0036364 k( 76) = ( -0.3118241 0.3118241 0.3118241), wk = 0.0036364 k( 77) = ( -0.3029148 0.3029148 0.3029148), wk = 0.0036364 k( 78) = ( -0.2940056 0.2940056 0.2940056), wk = 0.0036364 k( 79) = ( -0.2850963 0.2850963 0.2850963), wk = 0.0036364 k( 80) = ( -0.2761871 0.2761871 0.2761871), wk = 0.0036364 k( 81) = ( -0.2672778 0.2672778 0.2672778), wk = 0.0036364 k( 82) = ( -0.2583685 0.2583685 0.2583685), wk = 0.0036364 k( 83) = ( -0.2494593 0.2494593 0.2494593), wk = 0.0036364 k( 84) = ( -0.2405500 0.2405500 0.2405500), wk = 0.0036364 k( 85) = ( -0.2316408 0.2316408 0.2316408), wk = 0.0036364 k( 86) = ( -0.2227315 0.2227315 0.2227315), wk = 0.0036364 k( 87) = ( -0.2138222 0.2138222 0.2138222), wk = 0.0036364 k( 88) = ( -0.2049130 0.2049130 0.2049130), wk = 0.0036364 k( 89) = ( -0.1960037 0.1960037 0.1960037), wk = 0.0036364 k( 90) = ( -0.1870945 0.1870945 0.1870945), wk = 0.0036364 k( 91) = ( -0.1781852 0.1781852 0.1781852), wk = 0.0036364 k( 92) = ( -0.1692759 0.1692759 0.1692759), wk = 0.0036364 k( 93) = ( -0.1603667 0.1603667 0.1603667), wk = 0.0036364 k( 94) = ( -0.1514574 0.1514574 0.1514574), wk = 0.0036364 k( 95) = ( -0.1425482 0.1425482 0.1425482), wk = 0.0036364 k( 96) = ( -0.1336389 0.1336389 0.1336389), wk = 0.0036364 k( 97) = ( -0.1247296 0.1247296 0.1247296), wk = 0.0036364 k( 98) = ( -0.1158204 0.1158204 0.1158204), wk = 0.0036364 k( 99) = ( -0.1069111 0.1069111 0.1069111), wk = 0.0036364 k( 100) = ( -0.0980019 0.0980019 0.0980019), wk = 0.0036364 k( 101) = ( -0.0890926 0.0890926 0.0890926), wk = 0.0036364 k( 102) = ( -0.0801833 0.0801833 0.0801833), wk = 0.0036364 k( 103) = ( -0.0712741 0.0712741 0.0712741), wk = 0.0036364 k( 104) = ( -0.0623648 0.0623648 0.0623648), wk = 0.0036364 k( 105) = ( -0.0534556 0.0534556 0.0534556), wk = 0.0036364 k( 106) = ( -0.0445463 0.0445463 0.0445463), wk = 0.0036364 k( 107) = ( -0.0356370 0.0356370 0.0356370), wk = 0.0036364 k( 108) = ( -0.0267278 0.0267278 0.0267278), wk = 0.0036364 k( 109) = ( -0.0178185 0.0178185 0.0178185), wk = 0.0036364 k( 110) = ( -0.0089093 0.0089093 0.0089093), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036364 k( 114) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036364 k( 115) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036364 k( 117) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036364 k( 118) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036364 k( 120) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036364 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036364 k( 123) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036364 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036364 k( 126) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036364 k( 127) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036364 k( 129) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036364 k( 130) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036364 k( 132) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036364 k( 133) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036364 k( 134) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036364 k( 135) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036364 k( 136) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036364 k( 138) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036364 k( 139) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036364 k( 140) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036364 k( 141) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 144) = ( 0.4910367 0.5089633 -0.4910367), wk = 0.0036364 k( 145) = ( 0.4820733 0.5179267 -0.4820733), wk = 0.0036364 k( 146) = ( 0.4731100 0.5268900 -0.4731100), wk = 0.0036364 k( 147) = ( 0.4641467 0.5358533 -0.4641467), wk = 0.0036364 k( 148) = ( 0.4551833 0.5448167 -0.4551833), wk = 0.0036364 k( 149) = ( 0.4462200 0.5537800 -0.4462200), wk = 0.0036364 k( 150) = ( 0.4372567 0.5627433 -0.4372567), wk = 0.0036364 k( 151) = ( 0.4282934 0.5717067 -0.4282934), wk = 0.0036364 k( 152) = ( 0.4193300 0.5806700 -0.4193300), wk = 0.0036364 k( 153) = ( 0.4103667 0.5896333 -0.4103667), wk = 0.0036364 k( 154) = ( 0.4014033 0.5985967 -0.4014034), wk = 0.0036364 k( 155) = ( 0.3924400 0.6075600 -0.3924400), wk = 0.0036364 k( 156) = ( 0.3834767 0.6165233 -0.3834767), wk = 0.0036364 k( 157) = ( 0.3745134 0.6254867 -0.3745134), wk = 0.0036364 k( 158) = ( 0.3655500 0.6344500 -0.3655500), wk = 0.0036364 k( 159) = ( 0.3565867 0.6434133 -0.3565867), wk = 0.0036364 k( 160) = ( 0.3476234 0.6523766 -0.3476234), wk = 0.0036364 k( 161) = ( 0.3386600 0.6613400 -0.3386600), wk = 0.0036364 k( 162) = ( 0.3296967 0.6703033 -0.3296967), wk = 0.0036364 k( 163) = ( 0.3207334 0.6792666 -0.3207334), wk = 0.0036364 k( 164) = ( 0.3207334 0.6792666 -0.3207334), wk = 0.0036364 k( 165) = ( 0.3018667 0.6687215 -0.3018667), wk = 0.0036364 k( 166) = ( 0.2830000 0.6581764 -0.2830000), wk = 0.0036364 k( 167) = ( 0.2641334 0.6476314 -0.2641334), wk = 0.0036364 k( 168) = ( 0.2452667 0.6370863 -0.2452667), wk = 0.0036364 k( 169) = ( 0.2264000 0.6265412 -0.2264000), wk = 0.0036364 k( 170) = ( 0.2075334 0.6159961 -0.2075334), wk = 0.0036364 k( 171) = ( 0.1886667 0.6054510 -0.1886667), wk = 0.0036364 k( 172) = ( 0.1698000 0.5949059 -0.1698000), wk = 0.0036364 k( 173) = ( 0.1509333 0.5843608 -0.1509334), wk = 0.0036364 k( 174) = ( 0.1320667 0.5738157 -0.1320667), wk = 0.0036364 k( 175) = ( 0.1132000 0.5632706 -0.1132000), wk = 0.0036364 k( 176) = ( 0.0943333 0.5527255 -0.0943333), wk = 0.0036364 k( 177) = ( 0.0754667 0.5421804 -0.0754667), wk = 0.0036364 k( 178) = ( 0.0566000 0.5316353 -0.0566000), wk = 0.0036364 k( 179) = ( 0.0377333 0.5210902 -0.0377333), wk = 0.0036364 k( 180) = ( 0.0188667 0.5105451 -0.0188667), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 183) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 184) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 185) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 186) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 187) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 188) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 189) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 190) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 191) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 192) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 193) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 194) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 195) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 196) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 197) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 198) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 199) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 200) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 201) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 202) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 204) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 205) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 206) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 207) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 208) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 209) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 212) = ( 0.2631579 0.2631579 0.2293965), wk = 0.0036364 k( 213) = ( 0.2763158 0.2763158 0.2087930), wk = 0.0036364 k( 214) = ( 0.2894737 0.2894737 0.1881895), wk = 0.0036364 k( 215) = ( 0.3026316 0.3026316 0.1675860), wk = 0.0036364 k( 216) = ( 0.3157895 0.3157895 0.1469824), wk = 0.0036364 k( 217) = ( 0.3289474 0.3289474 0.1263789), wk = 0.0036364 k( 218) = ( 0.3421053 0.3421053 0.1057754), wk = 0.0036364 k( 219) = ( 0.3552632 0.3552632 0.0851719), wk = 0.0036364 k( 220) = ( 0.3684211 0.3684211 0.0645684), wk = 0.0036364 k( 221) = ( 0.3815789 0.3815789 0.0439649), wk = 0.0036364 k( 222) = ( 0.3947368 0.3947368 0.0233614), wk = 0.0036364 k( 223) = ( 0.4078947 0.4078947 0.0027579), wk = 0.0036364 k( 224) = ( 0.4210526 0.4210526 -0.0178457), wk = 0.0036364 k( 225) = ( 0.4342105 0.4342105 -0.0384492), wk = 0.0036364 k( 226) = ( 0.4473684 0.4473684 -0.0590527), wk = 0.0036364 k( 227) = ( 0.4605263 0.4605263 -0.0796562), wk = 0.0036364 k( 228) = ( 0.4736842 0.4736842 -0.1002597), wk = 0.0036364 k( 229) = ( 0.4868421 0.4868421 -0.1208632), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1414667), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1414667), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1542715), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1670763), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1798810), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.1926858), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2054905), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2182953), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2311001), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2439048), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2567096), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2695143), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2823191), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.2951238), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3079286), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3207334), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3335381), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3463429), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3591476), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3719524), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3847572), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.3975619), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4103667), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4231714), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4359762), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4487810), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4615857), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4743905), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4871952), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 168109 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 44867 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 252, 50) NL pseudopotentials 0.25 Mb ( 126, 130) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3502) G-vector shells 0.01 Mb ( 1607) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 252, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2HgSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.1 secs Computing kpt #: 2 total cpu time spent up to now is 50.7 secs Computing kpt #: 3 total cpu time spent up to now is 54.9 secs Computing kpt #: 4 total cpu time spent up to now is 59.4 secs Computing kpt #: 5 total cpu time spent up to now is 63.5 secs Computing kpt #: 6 total cpu time spent up to now is 67.4 secs Computing kpt #: 7 total cpu time spent up to now is 71.3 secs Computing kpt #: 8 total cpu time spent up to now is 75.2 secs Computing kpt #: 9 total cpu time spent up to now is 79.2 secs Computing kpt #: 10 total cpu time spent up to now is 83.1 secs Computing kpt #: 11 total cpu time spent up to now is 86.8 secs Computing kpt #: 12 total cpu time spent up to now is 91.8 secs Computing kpt #: 13 total cpu time spent up to now is 97.1 secs Computing kpt #: 14 total cpu time spent up to now is 100.7 secs Computing kpt #: 15 total cpu time spent up to now is 104.3 secs Computing kpt #: 16 total cpu time spent up to now is 108.0 secs Computing kpt #: 17 total cpu time spent up to now is 111.7 secs Computing kpt #: 18 total cpu time spent up to now is 115.4 secs Computing kpt #: 19 total cpu time spent up to now is 119.1 secs Computing kpt #: 20 total cpu time spent up to now is 123.0 secs Computing kpt #: 21 total cpu time spent up to now is 127.0 secs Computing kpt #: 22 total cpu time spent up to now is 131.0 secs Computing kpt #: 23 total cpu time spent up to now is 135.0 secs Computing kpt #: 24 total cpu time spent up to now is 138.9 secs Computing kpt #: 25 total cpu time spent up to now is 142.7 secs Computing kpt #: 26 total cpu time spent up to now is 146.4 secs Computing kpt #: 27 total cpu time spent up to now is 150.0 secs Computing kpt #: 28 total cpu time spent up to now is 153.6 secs Computing kpt #: 29 total cpu time spent up to now is 157.2 secs Computing kpt #: 30 total cpu time spent up to now is 160.8 secs Computing kpt #: 31 total cpu time spent up to now is 164.4 secs Computing kpt #: 32 total cpu time spent up to now is 167.9 secs Computing kpt #: 33 total cpu time spent up to now is 171.6 secs Computing kpt #: 34 total cpu time spent up to now is 175.1 secs Computing kpt #: 35 total cpu time spent up to now is 178.7 secs Computing kpt #: 36 total cpu time spent up to now is 182.3 secs Computing kpt #: 37 total cpu time spent up to now is 185.8 secs Computing kpt #: 38 total cpu time spent up to now is 189.3 secs Computing kpt #: 39 total cpu time spent up to now is 192.9 secs Computing kpt #: 40 total cpu time spent up to now is 196.4 secs Computing kpt #: 41 total cpu time spent up to now is 200.0 secs Computing kpt #: 42 total cpu time spent up to now is 203.6 secs Computing kpt #: 43 total cpu time spent up to now is 207.3 secs Computing kpt #: 44 total cpu time spent up to now is 211.0 secs Computing kpt #: 45 total cpu time spent up to now is 214.6 secs Computing kpt #: 46 total cpu time spent up to now is 218.3 secs Computing kpt #: 47 total cpu time spent up to now is 222.0 secs Computing kpt #: 48 total cpu time spent up to now is 225.7 secs Computing kpt #: 49 total cpu time spent up to now is 229.5 secs Computing kpt #: 50 total cpu time spent up to now is 233.4 secs Computing kpt #: 51 total cpu time spent up to now is 237.3 secs Computing kpt #: 52 total cpu time spent up to now is 241.5 secs Computing kpt #: 53 total cpu time spent up to now is 245.4 secs Computing kpt #: 54 total cpu time spent up to now is 249.4 secs Computing kpt #: 55 total cpu time spent up to now is 253.4 secs Computing kpt #: 56 total cpu time spent up to now is 257.2 secs Computing kpt #: 57 total cpu time spent up to now is 261.8 secs Computing kpt #: 58 total cpu time spent up to now is 265.5 secs Computing kpt #: 59 total cpu time spent up to now is 269.2 secs Computing kpt #: 60 total cpu time spent up to now is 272.8 secs Computing kpt #: 61 total cpu time spent up to now is 276.5 secs Computing kpt #: 62 total cpu time spent up to now is 280.1 secs Computing kpt #: 63 total cpu time spent up to now is 283.8 secs Computing kpt #: 64 total cpu time spent up to now is 287.4 secs Computing kpt #: 65 total cpu time spent up to now is 291.2 secs Computing kpt #: 66 total cpu time spent up to now is 294.8 secs Computing kpt #: 67 total cpu time spent up to now is 298.6 secs Computing kpt #: 68 total cpu time spent up to now is 302.3 secs Computing kpt #: 69 total cpu time spent up to now is 306.0 secs Computing kpt #: 70 total cpu time spent up to now is 309.8 secs Computing kpt #: 71 total cpu time spent up to now is 313.4 secs Computing kpt #: 72 total cpu time spent up to now is 317.1 secs Computing kpt #: 73 total cpu time spent up to now is 321.1 secs Computing kpt #: 74 total cpu time spent up to now is 324.8 secs Computing kpt #: 75 total cpu time spent up to now is 328.5 secs Computing kpt #: 76 total cpu time spent up to now is 332.2 secs Computing kpt #: 77 total cpu time spent up to now is 335.9 secs Computing kpt #: 78 total cpu time spent up to now is 339.5 secs Computing kpt #: 79 total cpu time spent up to now is 343.1 secs Computing kpt #: 80 total cpu time spent up to now is 346.7 secs Computing kpt #: 81 total cpu time spent up to now is 350.3 secs Computing kpt #: 82 total cpu time spent up to now is 353.9 secs Computing kpt #: 83 total cpu time spent up to now is 357.6 secs Computing kpt #: 84 total cpu time spent up to now is 361.2 secs Computing kpt #: 85 total cpu time spent up to now is 364.9 secs Computing kpt #: 86 total cpu time spent up to now is 368.7 secs Computing kpt #: 87 total cpu time spent up to now is 372.6 secs Computing kpt #: 88 total cpu time spent up to now is 376.4 secs Computing kpt #: 89 total cpu time spent up to now is 380.2 secs Computing kpt #: 90 total cpu time spent up to now is 384.1 secs Computing kpt #: 91 total cpu time spent up to now is 388.1 secs Computing kpt #: 92 total cpu time spent up to now is 394.2 secs Computing kpt #: 93 total cpu time spent up to now is 399.0 secs Computing kpt #: 94 total cpu time spent up to now is 403.0 secs Computing kpt #: 95 total cpu time spent up to now is 407.0 secs Computing kpt #: 96 total cpu time spent up to now is 411.0 secs Computing kpt #: 97 total cpu time spent up to now is 414.9 secs Computing kpt #: 98 total cpu time spent up to now is 418.7 secs Computing kpt #: 99 total cpu time spent up to now is 422.6 secs Computing kpt #: 100 total cpu time spent up to now is 426.5 secs Computing kpt #: 101 total cpu time spent up to now is 430.4 secs Computing kpt #: 102 total cpu time spent up to now is 434.3 secs Computing kpt #: 103 total cpu time spent up to now is 438.2 secs Computing kpt #: 104 total cpu time spent up to now is 442.2 secs Computing kpt #: 105 total cpu time spent up to now is 446.3 secs Computing kpt #: 106 total cpu time spent up to now is 450.5 secs Computing kpt #: 107 total cpu time spent up to now is 454.8 secs Computing kpt #: 108 total cpu time spent up to now is 459.3 secs Computing kpt #: 109 total cpu time spent up to now is 463.7 secs Computing kpt #: 110 total cpu time spent up to now is 468.7 secs Computing kpt #: 111 total cpu time spent up to now is 473.9 secs Computing kpt #: 112 total cpu time spent up to now is 478.9 secs Computing kpt #: 113 total cpu time spent up to now is 483.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 489.4 secs Computing kpt #: 115 total cpu time spent up to now is 493.6 secs Computing kpt #: 116 total cpu time spent up to now is 497.9 secs Computing kpt #: 117 total cpu time spent up to now is 501.9 secs Computing kpt #: 118 total cpu time spent up to now is 505.8 secs Computing kpt #: 119 total cpu time spent up to now is 509.8 secs Computing kpt #: 120 total cpu time spent up to now is 513.6 secs Computing kpt #: 121 total cpu time spent up to now is 517.4 secs Computing kpt #: 122 total cpu time spent up to now is 521.3 secs Computing kpt #: 123 total cpu time spent up to now is 525.0 secs Computing kpt #: 124 total cpu time spent up to now is 528.7 secs Computing kpt #: 125 total cpu time spent up to now is 532.4 secs Computing kpt #: 126 total cpu time spent up to now is 536.1 secs Computing kpt #: 127 total cpu time spent up to now is 539.8 secs Computing kpt #: 128 total cpu time spent up to now is 544.0 secs Computing kpt #: 129 total cpu time spent up to now is 548.0 secs Computing kpt #: 130 total cpu time spent up to now is 551.7 secs Computing kpt #: 131 total cpu time spent up to now is 555.4 secs Computing kpt #: 132 total cpu time spent up to now is 559.1 secs Computing kpt #: 133 total cpu time spent up to now is 562.7 secs Computing kpt #: 134 total cpu time spent up to now is 566.4 secs Computing kpt #: 135 total cpu time spent up to now is 570.0 secs Computing kpt #: 136 total cpu time spent up to now is 573.6 secs Computing kpt #: 137 total cpu time spent up to now is 577.3 secs Computing kpt #: 138 total cpu time spent up to now is 581.1 secs Computing kpt #: 139 total cpu time spent up to now is 584.9 secs Computing kpt #: 140 total cpu time spent up to now is 588.6 secs Computing kpt #: 141 total cpu time spent up to now is 592.2 secs Computing kpt #: 142 total cpu time spent up to now is 595.7 secs Computing kpt #: 143 total cpu time spent up to now is 599.1 secs Computing kpt #: 144 total cpu time spent up to now is 602.7 secs Computing kpt #: 145 total cpu time spent up to now is 606.2 secs Computing kpt #: 146 total cpu time spent up to now is 609.8 secs Computing kpt #: 147 total cpu time spent up to now is 613.5 secs Computing kpt #: 148 total cpu time spent up to now is 617.2 secs Computing kpt #: 149 total cpu time spent up to now is 620.9 secs Computing kpt #: 150 total cpu time spent up to now is 624.6 secs Computing kpt #: 151 total cpu time spent up to now is 628.4 secs Computing kpt #: 152 total cpu time spent up to now is 632.2 secs Computing kpt #: 153 total cpu time spent up to now is 636.0 secs Computing kpt #: 154 total cpu time spent up to now is 640.0 secs Computing kpt #: 155 total cpu time spent up to now is 643.8 secs Computing kpt #: 156 total cpu time spent up to now is 647.7 secs Computing kpt #: 157 total cpu time spent up to now is 651.6 secs Computing kpt #: 158 total cpu time spent up to now is 655.4 secs Computing kpt #: 159 total cpu time spent up to now is 659.1 secs Computing kpt #: 160 total cpu time spent up to now is 662.9 secs Computing kpt #: 161 total cpu time spent up to now is 666.7 secs Computing kpt #: 162 total cpu time spent up to now is 670.4 secs Computing kpt #: 163 total cpu time spent up to now is 674.1 secs Computing kpt #: 164 total cpu time spent up to now is 677.7 secs Computing kpt #: 165 total cpu time spent up to now is 681.4 secs Computing kpt #: 166 total cpu time spent up to now is 685.1 secs Computing kpt #: 167 total cpu time spent up to now is 688.8 secs Computing kpt #: 168 total cpu time spent up to now is 693.4 secs Computing kpt #: 169 total cpu time spent up to now is 697.2 secs Computing kpt #: 170 total cpu time spent up to now is 700.8 secs Computing kpt #: 171 total cpu time spent up to now is 704.3 secs Computing kpt #: 172 total cpu time spent up to now is 707.8 secs Computing kpt #: 173 total cpu time spent up to now is 711.3 secs Computing kpt #: 174 total cpu time spent up to now is 715.0 secs Computing kpt #: 175 total cpu time spent up to now is 718.4 secs Computing kpt #: 176 total cpu time spent up to now is 721.9 secs Computing kpt #: 177 total cpu time spent up to now is 725.5 secs Computing kpt #: 178 total cpu time spent up to now is 729.1 secs Computing kpt #: 179 total cpu time spent up to now is 732.7 secs Computing kpt #: 180 total cpu time spent up to now is 736.3 secs Computing kpt #: 181 total cpu time spent up to now is 739.8 secs Computing kpt #: 182 total cpu time spent up to now is 743.4 secs Computing kpt #: 183 total cpu time spent up to now is 746.9 secs Computing kpt #: 184 total cpu time spent up to now is 750.5 secs Computing kpt #: 185 total cpu time spent up to now is 754.2 secs Computing kpt #: 186 total cpu time spent up to now is 757.8 secs Computing kpt #: 187 total cpu time spent up to now is 761.5 secs Computing kpt #: 188 total cpu time spent up to now is 765.2 secs Computing kpt #: 189 total cpu time spent up to now is 768.9 secs Computing kpt #: 190 total cpu time spent up to now is 772.8 secs Computing kpt #: 191 total cpu time spent up to now is 776.6 secs Computing kpt #: 192 total cpu time spent up to now is 780.3 secs Computing kpt #: 193 total cpu time spent up to now is 784.2 secs Computing kpt #: 194 total cpu time spent up to now is 788.2 secs Computing kpt #: 195 total cpu time spent up to now is 792.4 secs Computing kpt #: 196 total cpu time spent up to now is 796.5 secs Computing kpt #: 197 total cpu time spent up to now is 800.6 secs Computing kpt #: 198 total cpu time spent up to now is 804.7 secs Computing kpt #: 199 total cpu time spent up to now is 808.7 secs Computing kpt #: 200 total cpu time spent up to now is 812.8 secs Computing kpt #: 201 total cpu time spent up to now is 816.7 secs Computing kpt #: 202 total cpu time spent up to now is 820.6 secs Computing kpt #: 203 total cpu time spent up to now is 824.4 secs Computing kpt #: 204 total cpu time spent up to now is 828.0 secs Computing kpt #: 205 total cpu time spent up to now is 831.7 secs Computing kpt #: 206 total cpu time spent up to now is 835.3 secs Computing kpt #: 207 total cpu time spent up to now is 838.9 secs Computing kpt #: 208 total cpu time spent up to now is 842.8 secs Computing kpt #: 209 total cpu time spent up to now is 846.4 secs Computing kpt #: 210 total cpu time spent up to now is 850.0 secs Computing kpt #: 211 total cpu time spent up to now is 853.6 secs Computing kpt #: 212 total cpu time spent up to now is 857.2 secs Computing kpt #: 213 total cpu time spent up to now is 860.9 secs Computing kpt #: 214 total cpu time spent up to now is 864.5 secs Computing kpt #: 215 total cpu time spent up to now is 868.1 secs Computing kpt #: 216 total cpu time spent up to now is 871.8 secs Computing kpt #: 217 total cpu time spent up to now is 875.5 secs Computing kpt #: 218 total cpu time spent up to now is 879.2 secs Computing kpt #: 219 total cpu time spent up to now is 882.9 secs Computing kpt #: 220 total cpu time spent up to now is 886.6 secs Computing kpt #: 221 total cpu time spent up to now is 890.5 secs Computing kpt #: 222 total cpu time spent up to now is 894.3 secs Computing kpt #: 223 total cpu time spent up to now is 898.2 secs Computing kpt #: 224 total cpu time spent up to now is 902.2 secs Computing kpt #: 225 total cpu time spent up to now is 906.1 secs Computing kpt #: 226 total cpu time spent up to now is 910.1 secs Computing kpt #: 227 total cpu time spent up to now is 914.1 secs Computing kpt #: 228 total cpu time spent up to now is 918.0 secs Computing kpt #: 229 total cpu time spent up to now is 922.0 secs Computing kpt #: 230 total cpu time spent up to now is 926.0 secs Computing kpt #: 231 total cpu time spent up to now is 929.9 secs Computing kpt #: 232 total cpu time spent up to now is 934.0 secs Computing kpt #: 233 total cpu time spent up to now is 937.9 secs Computing kpt #: 234 total cpu time spent up to now is 941.7 secs Computing kpt #: 235 total cpu time spent up to now is 945.5 secs Computing kpt #: 236 total cpu time spent up to now is 949.4 secs Computing kpt #: 237 total cpu time spent up to now is 953.1 secs Computing kpt #: 238 total cpu time spent up to now is 956.8 secs Computing kpt #: 239 total cpu time spent up to now is 960.7 secs Computing kpt #: 240 total cpu time spent up to now is 964.4 secs Computing kpt #: 241 total cpu time spent up to now is 968.2 secs Computing kpt #: 242 total cpu time spent up to now is 972.0 secs Computing kpt #: 243 total cpu time spent up to now is 975.7 secs Computing kpt #: 244 total cpu time spent up to now is 979.4 secs Computing kpt #: 245 total cpu time spent up to now is 983.1 secs Computing kpt #: 246 total cpu time spent up to now is 986.9 secs Computing kpt #: 247 total cpu time spent up to now is 990.7 secs Computing kpt #: 248 total cpu time spent up to now is 996.7 secs Computing kpt #: 249 total cpu time spent up to now is 1000.6 secs Computing kpt #: 250 total cpu time spent up to now is 1004.3 secs Computing kpt #: 251 total cpu time spent up to now is 1008.0 secs Computing kpt #: 252 total cpu time spent up to now is 1011.8 secs Computing kpt #: 253 total cpu time spent up to now is 1015.6 secs Computing kpt #: 254 total cpu time spent up to now is 1019.3 secs Computing kpt #: 255 total cpu time spent up to now is 1023.0 secs Computing kpt #: 256 total cpu time spent up to now is 1026.6 secs Computing kpt #: 257 total cpu time spent up to now is 1030.2 secs Computing kpt #: 258 total cpu time spent up to now is 1033.8 secs Computing kpt #: 259 total cpu time spent up to now is 1037.3 secs Computing kpt #: 260 total cpu time spent up to now is 1040.8 secs Computing kpt #: 261 total cpu time spent up to now is 1044.4 secs Computing kpt #: 262 total cpu time spent up to now is 1048.0 secs Computing kpt #: 263 total cpu time spent up to now is 1051.5 secs Computing kpt #: 264 total cpu time spent up to now is 1055.1 secs Computing kpt #: 265 total cpu time spent up to now is 1058.7 secs Computing kpt #: 266 total cpu time spent up to now is 1062.2 secs Computing kpt #: 267 total cpu time spent up to now is 1065.9 secs Computing kpt #: 268 total cpu time spent up to now is 1069.4 secs Computing kpt #: 269 total cpu time spent up to now is 1073.0 secs Computing kpt #: 270 total cpu time spent up to now is 1076.6 secs Computing kpt #: 271 total cpu time spent up to now is 1080.2 secs Computing kpt #: 272 total cpu time spent up to now is 1083.8 secs Computing kpt #: 273 total cpu time spent up to now is 1087.3 secs Computing kpt #: 274 total cpu time spent up to now is 1090.9 secs Computing kpt #: 275 total cpu time spent up to now is 1094.5 secs ethr = 2.38E-11, avg # of iterations = 40.6 total cpu time spent up to now is 1094.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5581 PWs) bands (ev): -8.2457 -8.2457 -6.9701 -6.9701 -6.9656 -6.9656 -6.8891 -6.8891 -2.1078 -2.1078 -2.1023 -2.1023 -0.9105 -0.9105 -0.5180 -0.5180 -0.4162 -0.4162 -0.0600 -0.0600 0.1630 0.1630 1.5846 1.5846 1.7178 1.7178 1.7860 1.7860 1.8805 1.8805 2.7935 2.7935 3.3596 3.3596 3.3690 3.3690 4.5525 4.5525 4.9066 4.9066 5.0078 5.0078 6.5898 6.5898 8.0291 8.0291 8.4824 8.4824 10.3213 10.3213 k = 0.0000 0.0000 0.0213 ( 5583 PWs) bands (ev): -8.2450 -8.2449 -6.9707 -6.9706 -6.9662 -6.9661 -6.8890 -6.8890 -2.1091 -2.1077 -2.1025 -2.1013 -0.9160 -0.9039 -0.5235 -0.5125 -0.4203 -0.4129 -0.0687 -0.0530 0.1616 0.1661 1.5707 1.5876 1.6953 1.7409 1.7740 1.8004 1.8684 1.9068 2.7901 2.7941 3.3581 3.3610 3.3664 3.3742 4.5488 4.5525 4.9022 4.9033 5.0002 5.0040 6.5994 6.6007 8.0317 8.0326 8.4848 8.4884 10.3152 10.3212 k = 0.0000 0.0000 0.0427 ( 5587 PWs) bands (ev): -8.2427 -8.2427 -6.9725 -6.9723 -6.9678 -6.9677 -6.8889 -6.8888 -2.1107 -2.1089 -2.1013 -2.1001 -0.9203 -0.8964 -0.5289 -0.5071 -0.4253 -0.4106 -0.0786 -0.0479 0.1616 0.1705 1.5507 1.5797 1.6727 1.7555 1.7657 1.8203 1.8783 1.9401 2.7840 2.7917 3.3543 3.3574 3.3737 3.3822 4.5408 4.5487 4.8880 4.8913 4.9844 4.9911 6.6287 6.6314 8.0403 8.0421 8.4957 8.5029 10.3019 10.3130 k = 0.0000 0.0000 0.0640 ( 5583 PWs) bands (ev): -8.2389 -8.2389 -6.9755 -6.9753 -6.9704 -6.9702 -6.8887 -6.8886 -2.1123 -2.1107 -2.0997 -2.0989 -0.9235 -0.8880 -0.5343 -0.5018 -0.4310 -0.4092 -0.0894 -0.0449 0.1629 0.1757 1.5292 1.5653 1.6504 1.7306 1.7920 1.8427 1.9073 1.9776 2.7747 2.7862 3.3465 3.3541 3.3865 3.3951 4.5271 4.5405 4.8593 4.8676 4.9678 4.9752 6.6751 6.6795 8.0546 8.0573 8.5153 8.5259 10.2792 10.2942 k = 0.0000 0.0000 0.0853 ( 5586 PWs) bands (ev): -8.2336 -8.2336 -6.9798 -6.9795 -6.9738 -6.9735 -6.8886 -6.8884 -2.1140 -2.1128 -2.0983 -2.0975 -0.9253 -0.8789 -0.5395 -0.4966 -0.4371 -0.4087 -0.1008 -0.0441 0.1648 0.1810 1.5094 1.5489 1.6292 1.7030 1.8182 1.8660 1.9474 2.0184 2.7620 2.7771 3.3386 3.3501 3.4039 3.4131 4.5059 4.5264 4.8156 4.8321 4.9550 4.9616 6.7355 6.7418 8.0738 8.0776 8.5437 8.5576 10.2472 10.2660 k = 0.0000 0.0000 0.1066 ( 5586 PWs) bands (ev): -8.2269 -8.2268 -6.9854 -6.9850 -6.9778 -6.9776 -6.8886 -6.8883 -2.1159 -2.1147 -2.0976 -2.0955 -0.9258 -0.8690 -0.5445 -0.4917 -0.4435 -0.4090 -0.1126 -0.0453 0.1666 0.1857 1.4931 1.5328 1.6105 1.6755 1.8425 1.8892 1.9938 2.0624 2.7455 2.7643 3.3325 3.3467 3.4255 3.4355 4.4741 4.5039 4.7633 4.7895 4.9452 4.9513 6.8064 6.8147 8.0975 8.1025 8.5809 8.5979 10.2087 10.2306 k = 0.0000 0.0000 0.1280 ( 5594 PWs) bands (ev): -8.2187 -8.2186 -6.9921 -6.9916 -6.9825 -6.9823 -6.8888 -6.8883 -2.1182 -2.1163 -2.0971 -2.0935 -0.9250 -0.8586 -0.5491 -0.4872 -0.4499 -0.4100 -0.1247 -0.0485 0.1675 0.1886 1.4808 1.5176 1.5964 1.6501 1.8641 1.9111 2.0439 2.1091 2.7251 2.7477 3.3297 3.3455 3.4507 3.4617 4.4294 4.4693 4.7105 4.7466 4.9366 4.9428 6.8845 6.8951 8.1248 8.1316 8.6268 8.6468 10.1664 10.1902 k = 0.0000 0.0000 0.1493 ( 5596 PWs) bands (ev): -8.2090 -8.2089 -6.9999 -6.9992 -6.9880 -6.9878 -6.8892 -6.8886 -2.1206 -2.1177 -2.0969 -2.0914 -0.9227 -0.8477 -0.5534 -0.4836 -0.4556 -0.4115 -0.1369 -0.0535 0.1669 0.1891 1.4714 1.5028 1.5895 1.6292 1.8822 1.9303 2.0965 2.1584 2.7011 2.7277 3.3314 3.3482 3.4786 3.4911 4.3705 4.4199 4.6638 4.7076 4.9280 4.9349 6.9670 6.9801 8.1553 8.1641 8.6808 8.7038 10.1221 10.1470 k = 0.0000 0.0000 0.1706 ( 5596 PWs) bands (ev): -8.1979 -8.1977 -7.0085 -7.0077 -6.9940 -6.9939 -6.8899 -6.8891 -2.1231 -2.1189 -2.0969 -2.0894 -0.9190 -0.8364 -0.5572 -0.4819 -0.4595 -0.4134 -0.1492 -0.0603 0.1640 0.1864 1.4612 1.4890 1.5912 1.6166 1.8962 1.9456 2.1508 2.2097 2.6747 2.7054 3.3384 3.3557 3.5082 3.5231 4.2991 4.3564 4.6254 4.6736 4.9190 4.9268 7.0516 7.0671 8.1888 8.1996 8.7422 8.7682 10.0770 10.1025 k = 0.0000 0.0000 0.1919 ( 5598 PWs) bands (ev): -8.1854 -8.1852 -7.0180 -7.0171 -7.0008 -7.0006 -6.8910 -6.8901 -2.1255 -2.1201 -2.0971 -2.0874 -0.9138 -0.8248 -0.5605 -0.4834 -0.4602 -0.4157 -0.1617 -0.0686 0.1586 0.1800 1.4464 1.4762 1.6010 1.6181 1.9054 1.9557 2.2064 2.2625 2.6476 2.6824 3.3508 3.3685 3.5381 3.5569 4.2186 4.2833 4.5933 4.6434 4.9094 4.9183 7.1364 7.1543 8.2250 8.2378 8.8097 8.8389 10.0321 10.0583 k = 0.0000 0.0000 0.2133 ( 5594 PWs) bands (ev): -8.1715 -8.1713 -7.0283 -7.0272 -7.0081 -7.0079 -6.8926 -6.8914 -2.1278 -2.1213 -2.0974 -2.0854 -0.9071 -0.8131 -0.5631 -0.4877 -0.4580 -0.4183 -0.1744 -0.0785 0.1504 0.1699 1.4278 1.4614 1.6192 1.6362 1.9087 1.9595 2.2627 2.3162 2.6218 2.6608 3.3683 3.3865 3.5665 3.5917 4.1328 4.2065 4.5644 4.6152 4.8992 4.9091 7.2197 7.2398 8.2637 8.2783 8.8818 8.9143 9.9885 10.0156 k = 0.0000 0.0000 0.2346 ( 5596 PWs) bands (ev): -8.1563 -8.1560 -7.0392 -7.0379 -7.0159 -7.0157 -6.8945 -6.8931 -2.1299 -2.1224 -2.0977 -2.0836 -0.8991 -0.8012 -0.5650 -0.4934 -0.4545 -0.4211 -0.1871 -0.0900 0.1393 0.1559 1.4073 1.4436 1.6487 1.6669 1.9057 1.9561 2.3193 2.3697 2.5997 2.6431 3.3902 3.4092 3.5908 3.6261 4.0455 4.1316 4.5368 4.5876 4.8884 4.8993 7.3004 7.3225 8.3047 8.3208 8.9561 8.9921 9.9469 9.9754 k = 0.0000 0.0000 0.2559 ( 5600 PWs) bands (ev): -8.1398 -8.1394 -7.0507 -7.0492 -7.0242 -7.0240 -6.8970 -6.8953 -2.1320 -2.1235 -2.0981 -2.0818 -0.8896 -0.7895 -0.5663 -0.4994 -0.4506 -0.4239 -0.1999 -0.1029 0.1255 0.1386 1.3863 1.4236 1.6891 1.7074 1.8960 1.9448 2.3756 2.4216 2.5836 2.6326 3.4151 3.4358 3.6076 3.6572 3.9614 4.0645 4.5092 4.5597 4.8770 4.8888 7.3775 7.4013 8.3478 8.3648 9.0299 9.0697 9.9086 9.9394 k = 0.0000 0.0000 0.2772 ( 5590 PWs) bands (ev): -8.1220 -8.1216 -7.0627 -7.0610 -7.0330 -7.0327 -6.8999 -6.8981 -2.1338 -2.1247 -2.0984 -2.0801 -0.8787 -0.7778 -0.5668 -0.5055 -0.4467 -0.4267 -0.2127 -0.1173 0.1091 0.1183 1.3650 1.4025 1.7380 1.7556 1.8814 1.9257 2.4298 2.4690 2.5758 2.6328 3.4407 3.4649 3.6130 3.6780 3.8894 4.0118 4.4814 4.5313 4.8651 4.8778 7.4505 7.4754 8.3925 8.4099 9.0998 9.1433 9.8752 9.9093 k = 0.0000 0.0000 0.2986 ( 5590 PWs) bands (ev): -8.1031 -8.1026 -7.0751 -7.0733 -7.0422 -7.0418 -6.9034 -6.9014 -2.1354 -2.1259 -2.0987 -2.0786 -0.8666 -0.7664 -0.5665 -0.5115 -0.4435 -0.4290 -0.2254 -0.1331 0.0905 0.0957 1.3435 1.3807 1.7885 1.8074 1.8705 1.9006 2.4773 2.5075 2.5808 2.6483 3.4621 3.4939 3.6069 3.6729 3.8479 3.9784 4.4538 4.5024 4.8530 4.8662 7.5191 7.5445 8.4382 8.4554 9.1613 9.2080 9.8488 9.8879 k = 0.0000 0.0000 0.3199 ( 5596 PWs) bands (ev): -8.0829 -8.0823 -7.0879 -7.0860 -7.0516 -7.0512 -6.9075 -6.9052 -2.1368 -2.1271 -2.0989 -2.0772 -0.8532 -0.7553 -0.5656 -0.5173 -0.4423 -0.4297 -0.2379 -0.1500 0.0693 0.0720 1.3215 1.3582 1.8024 1.8502 1.8832 1.9020 2.5090 2.5341 2.6066 2.6809 3.4671 3.5147 3.6009 3.6406 3.8467 3.9639 4.4273 4.4736 4.8406 4.8543 7.5830 7.6083 8.4842 8.5008 9.2097 9.2584 9.8318 9.8778 k = 0.0000 0.0000 0.3412 ( 5592 PWs) bands (ev): -8.0617 -8.0610 -7.1010 -7.0989 -7.0613 -7.0609 -6.9121 -6.9097 -2.1380 -2.1285 -2.0990 -2.0759 -0.8386 -0.7446 -0.5640 -0.5229 -0.4439 -0.4279 -0.2501 -0.1681 0.0443 0.0495 1.2981 1.3349 1.7811 1.8265 1.9403 1.9676 2.5241 2.5512 2.6527 2.7260 3.4443 3.5030 3.6121 3.6258 3.8656 3.9619 4.4033 4.4458 4.8281 4.8421 7.6423 7.6665 8.5295 8.5452 9.2406 9.2894 9.8266 9.8811 k = 0.0000 0.0000 0.3626 ( 5590 PWs) bands (ev): -8.0394 -8.0386 -7.1144 -7.1121 -7.0712 -7.0707 -6.9174 -6.9147 -2.1390 -2.1299 -2.0990 -2.0748 -0.8229 -0.7345 -0.5620 -0.5283 -0.4474 -0.4248 -0.2620 -0.1869 0.0177 0.0270 1.2724 1.3100 1.7545 1.7909 2.0133 2.0440 2.5306 2.5631 2.7079 2.7771 3.4026 3.4575 3.6385 3.6461 3.8887 3.9644 4.3839 4.4205 4.8156 4.8297 7.6968 7.7190 8.5731 8.5878 9.2518 9.2992 9.8330 9.8967 k = 0.0000 0.0000 0.3839 ( 5578 PWs) bands (ev): -8.0161 -8.0152 -7.1278 -7.1255 -7.0812 -7.0806 -6.9233 -6.9205 -2.1397 -2.1313 -2.0988 -2.0739 -0.8062 -0.7250 -0.5596 -0.5335 -0.4519 -0.4212 -0.2733 -0.2063 -0.0093 0.0043 1.2432 1.2832 1.7293 1.7560 2.0910 2.1255 2.5317 2.5714 2.7661 2.8299 3.3566 3.4083 3.6709 3.6789 3.9095 3.9649 4.3713 4.3994 4.8032 4.8172 7.7465 7.7655 8.6141 8.6278 9.2444 9.2897 9.8477 9.9198 k = 0.0000 0.0000 0.4052 ( 5564 PWs) bands (ev): -7.9920 -7.9909 -7.1414 -7.1389 -7.0913 -7.0906 -6.9298 -6.9268 -2.1402 -2.1328 -2.0986 -2.0732 -0.7888 -0.7161 -0.5572 -0.5383 -0.4569 -0.4177 -0.2842 -0.2259 -0.0362 -0.0181 1.2094 1.2536 1.7082 1.7252 2.1712 2.2096 2.5275 2.5753 2.8247 2.8817 3.3162 3.3691 3.7038 3.7152 3.9248 3.9597 4.3669 4.3852 4.7911 4.8047 7.7909 7.8054 8.6511 8.6643 9.2222 9.2659 9.8649 9.9437 k = 0.0000 0.0000 0.4265 ( 5568 PWs) bands (ev): -7.9669 -7.9658 -7.1550 -7.1524 -7.1014 -7.1006 -6.9370 -6.9339 -2.1405 -2.1342 -2.0983 -2.0727 -0.7706 -0.7080 -0.5555 -0.5423 -0.4623 -0.4143 -0.2945 -0.2454 -0.0624 -0.0398 1.1708 1.2205 1.6904 1.7027 2.2520 2.2930 2.5184 2.5731 2.8819 2.9305 3.2886 3.3451 3.7343 3.7520 3.9313 3.9494 4.3687 4.3818 4.7793 4.7923 7.8293 7.8380 8.6831 8.6962 9.1901 9.2331 9.8787 9.9620 k = 0.0000 0.0000 0.4479 ( 5560 PWs) bands (ev): -7.9411 -7.9398 -7.1686 -7.1659 -7.1115 -7.1106 -6.9448 -6.9416 -2.1405 -2.1355 -2.0980 -2.0724 -0.7520 -0.7006 -0.5557 -0.5445 -0.4680 -0.4114 -0.3043 -0.2644 -0.0875 -0.0601 1.1275 1.1834 1.6741 1.6924 2.3295 2.3674 2.5102 2.5647 2.9366 2.9759 3.2788 3.3384 3.7598 3.7874 3.9214 3.9442 4.3731 4.3923 4.7681 4.7802 7.8595 7.8634 8.7090 8.7224 9.1527 9.1963 9.8847 9.9707 k = 0.0000 0.0000 0.4692 ( 5564 PWs) bands (ev): -7.9146 -7.9132 -7.1821 -7.1794 -7.1214 -7.1204 -6.9533 -6.9500 -2.1404 -2.1367 -2.0977 -2.0724 -0.7333 -0.6938 -0.5587 -0.5446 -0.4739 -0.4089 -0.3136 -0.2823 -0.1112 -0.0786 1.0803 1.1421 1.6630 1.6912 2.3889 2.4113 2.5271 2.5576 2.9881 3.0193 3.2883 3.3488 3.7771 3.8189 3.9026 3.9444 4.3828 4.4117 4.7576 4.7686 7.8751 7.8848 8.7274 8.7420 9.1146 9.1596 9.8812 9.9684 k = 0.0000 0.0000 0.4905 ( 5564 PWs) bands (ev): -7.8875 -7.8859 -7.1955 -7.1927 -7.1311 -7.1301 -6.9624 -6.9591 -2.1400 -2.1377 -2.0975 -2.0727 -0.7148 -0.6876 -0.5632 -0.5443 -0.4798 -0.4072 -0.3225 -0.2988 -0.1328 -0.0947 1.0302 1.0970 1.6589 1.6971 2.3823 2.4348 2.5603 2.5957 3.0371 3.0641 3.3151 3.3734 3.7833 3.8394 3.8919 3.9478 4.3981 4.4358 4.7481 4.7576 7.8777 7.8971 8.7374 8.7550 9.0795 9.1264 9.8690 9.9560 k = 0.0000 0.0000 0.5118 ( 5574 PWs) bands (ev): -7.8599 -7.8581 -7.2088 -7.2059 -7.1407 -7.1395 -6.9721 -6.9687 -2.1396 -2.1385 -2.0974 -2.0732 -0.6977 -0.6810 -0.5684 -0.5447 -0.4856 -0.4065 -0.3308 -0.3134 -0.1518 -0.1080 0.9781 1.0486 1.6616 1.7091 2.3459 2.4182 2.6073 2.6631 3.0863 3.1129 3.3550 3.4071 3.7781 3.8390 3.9042 3.9561 4.4174 4.4625 4.7396 4.7473 7.8670 7.8965 8.7387 8.7617 9.0503 9.0988 9.8508 9.9357 k = 0.0000 0.0000 0.5332 ( 5570 PWs) bands (ev): -7.8319 -7.8299 -7.2219 -7.2190 -7.1500 -7.1487 -6.9823 -6.9790 -2.1396 -2.1384 -2.0974 -2.0740 -0.6852 -0.6713 -0.5739 -0.5464 -0.4913 -0.4072 -0.3386 -0.3254 -0.1679 -0.1182 0.9250 0.9979 1.6703 1.7264 2.3009 2.3805 2.6606 2.7261 3.1378 3.1676 3.4036 3.4452 3.7666 3.8337 3.9267 3.9682 4.4391 4.4902 4.7325 4.7380 7.8419 7.8808 8.7337 8.7630 9.0280 9.0774 9.8298 9.9111 k = 0.0000 0.0000 0.5545 ( 5574 PWs) bands (ev): -7.8036 -7.8014 -7.2349 -7.2319 -7.1589 -7.1576 -6.9930 -6.9897 -2.1400 -2.1376 -2.0976 -2.0751 -0.6788 -0.6574 -0.5796 -0.5497 -0.4966 -0.4096 -0.3461 -0.3337 -0.1805 -0.1250 0.8716 0.9457 1.6843 1.7484 2.2525 2.3361 2.7069 2.7778 3.1918 3.2281 3.4565 3.4852 3.7564 3.8355 3.9494 3.9821 4.4615 4.5178 4.7266 4.7299 7.8023 7.8485 8.7253 8.7594 9.0123 9.0616 9.8090 9.8854 k = 0.0000 0.0000 0.5758 ( 5578 PWs) bands (ev): -7.7750 -7.7727 -7.2478 -7.2446 -7.1676 -7.1661 -7.0041 -7.0008 -2.1402 -2.1365 -2.0979 -2.0764 -0.6749 -0.6437 -0.5853 -0.5546 -0.5017 -0.4139 -0.3536 -0.3379 -0.1893 -0.1285 0.8184 0.8927 1.7025 1.7745 2.2032 2.2903 2.7418 2.8149 3.2466 3.2909 3.5075 3.5309 3.7540 3.8479 3.9704 3.9967 4.4836 4.5446 4.7212 4.7242 7.7490 7.7997 8.7158 8.7511 9.0024 9.0510 9.7907 9.8612 k = 0.0000 0.0000 0.5972 ( 5572 PWs) bands (ev): -7.7464 -7.7439 -7.2606 -7.2572 -7.1758 -7.1743 -7.0154 -7.0123 -2.1401 -2.1352 -2.0984 -2.0781 -0.6719 -0.6326 -0.5904 -0.5608 -0.5063 -0.4200 -0.3600 -0.3388 -0.1939 -0.1287 0.7662 0.8396 1.7239 1.8041 2.1548 2.2462 2.7637 2.8362 3.2988 3.3488 3.5559 3.5874 3.7630 3.8700 3.9901 4.0121 4.5042 4.5700 4.7153 4.7218 7.6837 7.7362 8.7049 8.7373 8.9982 9.0461 9.7765 9.8402 k = 0.0000 0.0000 0.6185 ( 5566 PWs) bands (ev): -7.7179 -7.7152 -7.2733 -7.2698 -7.1836 -7.1820 -7.0268 -7.0238 -2.1398 -2.1339 -2.0991 -2.0800 -0.6695 -0.6258 -0.5937 -0.5682 -0.5103 -0.4273 -0.3645 -0.3379 -0.1941 -0.1259 0.7153 0.7869 1.7471 1.8365 2.1086 2.2061 2.7726 2.8420 3.3457 3.3947 3.6133 3.6488 3.7839 3.8978 4.0099 4.0303 4.5228 4.5934 4.7100 4.7216 7.6092 7.6607 8.6908 8.7176 9.0000 9.0478 9.7670 9.8235 k = 0.0000 0.0000 0.6398 ( 5572 PWs) bands (ev): -7.6895 -7.6866 -7.2860 -7.2824 -7.1909 -7.1892 -7.0382 -7.0354 -2.1392 -2.1324 -2.1000 -2.0822 -0.6674 -0.6246 -0.5946 -0.5763 -0.5132 -0.4356 -0.3666 -0.3361 -0.1901 -0.1204 0.6663 0.7352 1.7707 1.8710 2.0659 2.1721 2.7689 2.8336 3.3867 3.4282 3.6815 3.7108 3.8136 3.9273 4.0316 4.0549 4.5388 4.6143 4.7054 4.7231 7.5282 7.5769 8.6713 8.6919 9.0085 9.0564 9.7620 9.8110 k = 0.0000 0.0000 0.6611 ( 5584 PWs) bands (ev): -7.6615 -7.6585 -7.2988 -7.2951 -7.1977 -7.1960 -7.0493 -7.0467 -2.1383 -2.1308 -2.1010 -2.0846 -0.6657 -0.6276 -0.5942 -0.5847 -0.5149 -0.4443 -0.3666 -0.3342 -0.1819 -0.1125 0.6195 0.6850 1.7925 1.9052 2.0289 2.1466 2.7539 2.8134 3.4229 3.4548 3.7415 3.7796 3.8443 3.9610 4.0558 4.0888 4.5521 4.6323 4.7013 4.7261 7.4437 7.4884 8.6458 8.6613 9.0238 9.0712 9.7606 9.8025 k = 0.0000 0.0000 0.6825 ( 5580 PWs) bands (ev): -7.6340 -7.6308 -7.3118 -7.3079 -7.2038 -7.2022 -7.0599 -7.0575 -2.1371 -2.1292 -2.1022 -2.0872 -0.6643 -0.6325 -0.5948 -0.5926 -0.5154 -0.4530 -0.3647 -0.3326 -0.1699 -0.1028 0.5756 0.6367 1.8103 1.9313 2.0056 2.1319 2.7293 2.7836 3.4560 3.4797 3.7765 3.8587 3.8663 4.0083 4.0840 4.1295 4.5629 4.6470 4.6975 4.7299 7.3588 7.3986 8.6156 8.6278 9.0449 9.0903 9.7619 9.7969 k = 0.0000 0.0000 0.7038 ( 5588 PWs) bands (ev): -7.6073 -7.6040 -7.3250 -7.3211 -7.2094 -7.2078 -7.0697 -7.0677 -2.1357 -2.1275 -2.1035 -2.0899 -0.6630 -0.6377 -0.6011 -0.5955 -0.5148 -0.4614 -0.3616 -0.3316 -0.1548 -0.0920 0.5351 0.5910 1.8221 1.9283 2.0167 2.1297 2.6974 2.7471 3.4871 3.5055 3.7939 3.8668 3.9456 4.0675 4.1174 4.1727 4.5717 4.6577 4.6944 4.7337 7.2766 7.3111 8.5833 8.5932 9.0699 9.1118 9.7647 9.7935 k = 0.0000 0.0000 0.7251 ( 5594 PWs) bands (ev): -7.5817 -7.5783 -7.3385 -7.3345 -7.2142 -7.2128 -7.0785 -7.0768 -2.1341 -2.1259 -2.1048 -2.0926 -0.6621 -0.6428 -0.6077 -0.5983 -0.5134 -0.4693 -0.3578 -0.3312 -0.1375 -0.0809 0.4989 0.5486 1.8276 1.9069 2.0511 2.1398 2.6606 2.7061 3.5164 3.5326 3.7994 3.8599 4.0256 4.1264 4.1567 4.2146 4.5797 4.6635 4.6927 4.7366 7.2001 7.2291 8.5514 8.5597 9.0966 9.1336 9.7682 9.7914 k = 0.0000 0.0000 0.7464 ( 5602 PWs) bands (ev): -7.5575 -7.5542 -7.3521 -7.3482 -7.2183 -7.2170 -7.0861 -7.0847 -2.1322 -2.1246 -2.1059 -2.0954 -0.6614 -0.6473 -0.6129 -0.6018 -0.5113 -0.4765 -0.3536 -0.3315 -0.1191 -0.0706 0.4679 0.5102 1.8284 1.8846 2.0908 2.1591 2.6219 2.6631 3.5441 3.5601 3.7970 3.8466 4.0982 4.1729 4.2034 4.2519 4.5881 4.6638 4.6933 4.7375 7.1324 7.1557 8.5223 8.5291 9.1230 9.1539 9.7717 9.7896 k = 0.0000 0.0000 0.7678 ( 5604 PWs) bands (ev): -7.5355 -7.5323 -7.3654 -7.3618 -7.2214 -7.2204 -7.0922 -7.0911 -2.1303 -2.1236 -2.1067 -2.0982 -0.6610 -0.6511 -0.6163 -0.6057 -0.5087 -0.4829 -0.3495 -0.3324 -0.1008 -0.0622 0.4433 0.4770 1.8270 1.8651 2.1307 2.1829 2.5847 2.6206 3.5701 3.5859 3.7902 3.8299 4.1602 4.2084 4.2482 4.2822 4.5982 4.6596 4.6958 4.7356 7.0764 7.0940 8.4981 8.5033 9.1471 9.1710 9.7748 9.7879 k = 0.0000 0.0000 0.7891 ( 5604 PWs) bands (ev): -7.5167 -7.5140 -7.3774 -7.3744 -7.2237 -7.2230 -7.0966 -7.0959 -2.1283 -2.1232 -2.1069 -2.1007 -0.6606 -0.6543 -0.6177 -0.6095 -0.5057 -0.4887 -0.3456 -0.3340 -0.0841 -0.0571 0.4264 0.4499 1.8259 1.8495 2.1679 2.2051 2.5536 2.5817 3.5933 3.6071 3.7829 3.8118 4.2087 4.2360 4.2822 4.3031 4.6102 4.6529 4.6998 4.7306 7.0349 7.0467 8.4800 8.4835 9.1670 9.1833 9.7774 9.7860 k = 0.0000 0.0000 0.8104 ( 5600 PWs) bands (ev): -7.5029 -7.5013 -7.3861 -7.3844 -7.2250 -7.2247 -7.0993 -7.0989 -2.1265 -2.1237 -2.1063 -2.1031 -0.6599 -0.6569 -0.6174 -0.6129 -0.5022 -0.4938 -0.3420 -0.3361 -0.0704 -0.0564 0.4183 0.4304 1.8266 1.8380 2.1982 2.2184 2.5347 2.5507 3.6115 3.6200 3.7793 3.7952 4.2410 4.2533 4.3036 4.3136 4.6229 4.6446 4.7058 4.7228 7.0102 7.0161 8.4691 8.4709 9.1813 9.1895 9.7797 9.7839 k = 0.0000 0.0000 0.8317 ( 5612 PWs) bands (ev): -7.4972 -7.4972 -7.3889 -7.3889 -7.2253 -7.2253 -7.1001 -7.1001 -2.1248 -2.1248 -2.1050 -2.1050 -0.6587 -0.6587 -0.6157 -0.6157 -0.4983 -0.4983 -0.3388 -0.3388 -0.0609 -0.0609 0.4196 0.4196 1.8304 1.8304 2.2165 2.2165 2.5335 2.5335 3.6215 3.6215 3.7833 3.7833 4.2559 4.2559 4.3137 4.3137 4.6346 4.6346 4.7139 4.7139 7.0038 7.0038 8.4660 8.4660 9.1889 9.1889 9.7818 9.7818 k = 0.0000 0.0000 0.8317 ( 5612 PWs) bands (ev): -7.4972 -7.4972 -7.3889 -7.3889 -7.2253 -7.2253 -7.1001 -7.1001 -2.1248 -2.1248 -2.1050 -2.1050 -0.6587 -0.6587 -0.6157 -0.6157 -0.4983 -0.4983 -0.3388 -0.3388 -0.0609 -0.0609 0.4196 0.4196 1.8304 1.8304 2.2165 2.2165 2.5335 2.5335 3.6215 3.6215 3.7833 3.7833 4.2559 4.2559 4.3137 4.3137 4.6346 4.6346 4.7139 4.7139 7.0038 7.0038 8.4660 8.4660 9.1889 9.1889 9.7818 9.7818 k =-0.0118 0.0157 0.8317 ( 5594 PWs) bands (ev): -7.4972 -7.4969 -7.3895 -7.3891 -7.2252 -7.2251 -7.1003 -7.1000 -2.1265 -2.1234 -2.1094 -2.1013 -0.6713 -0.6565 -0.6165 -0.6061 -0.5102 -0.4826 -0.3416 -0.3335 -0.0621 -0.0574 0.4158 0.4236 1.8299 1.8315 2.2149 2.2183 2.5325 2.5351 3.6160 3.6236 3.7773 3.7838 4.2508 4.2595 4.3093 4.3168 4.6217 4.6364 4.7118 4.7211 7.0060 7.0083 8.4673 8.4686 9.1896 9.1961 9.7829 9.7853 k =-0.0236 0.0313 0.8317 ( 5612 PWs) bands (ev): -7.4969 -7.4962 -7.3910 -7.3902 -7.2247 -7.2246 -7.1006 -7.1001 -2.1284 -2.1223 -2.1143 -2.0983 -0.6889 -0.6632 -0.6104 -0.5933 -0.5170 -0.4645 -0.3420 -0.3250 -0.0611 -0.0518 0.4121 0.4278 1.8299 1.8330 2.2136 2.2202 2.5321 2.5374 3.6073 3.6224 3.7657 3.7785 4.2442 4.2617 4.3037 4.3185 4.6012 4.6268 4.7149 4.7299 7.0149 7.0194 8.4726 8.4754 9.1979 9.2109 9.7883 9.7932 k =-0.0354 0.0470 0.8317 ( 5616 PWs) bands (ev): -7.4963 -7.4952 -7.3933 -7.3922 -7.2239 -7.2237 -7.1011 -7.1003 -2.1305 -2.1227 -2.1184 -2.0960 -0.7085 -0.6722 -0.6049 -0.5800 -0.5176 -0.4461 -0.3392 -0.3126 -0.0578 -0.0438 0.4085 0.4322 1.8304 1.8350 2.2124 2.2224 2.5324 2.5403 3.5954 3.6178 3.7487 3.7677 4.2364 4.2623 4.2971 4.3188 4.5763 4.6098 4.7196 4.7376 7.0304 7.0368 8.4818 8.4861 9.2130 9.2326 9.7977 9.8052 k =-0.0472 0.0627 0.8317 ( 5612 PWs) bands (ev): -7.4954 -7.4940 -7.3964 -7.3950 -7.2226 -7.2224 -7.1017 -7.1007 -2.1330 -2.1272 -2.1189 -2.0946 -0.7286 -0.6809 -0.6029 -0.5676 -0.5121 -0.4297 -0.3324 -0.2951 -0.0524 -0.0335 0.4049 0.4367 1.8314 1.8375 2.2114 2.2247 2.5333 2.5438 3.5805 3.6100 3.7267 3.7514 4.2272 4.2612 4.2898 4.3177 4.5488 4.5889 4.7231 4.7427 7.0520 7.0601 8.4946 8.5007 9.2336 9.2601 9.8102 9.8205 k =-0.0589 0.0784 0.8317 ( 5612 PWs) bands (ev): -7.4943 -7.4925 -7.4003 -7.3986 -7.2209 -7.2206 -7.1024 -7.1011 -2.1365 -2.1324 -2.1185 -2.0938 -0.7485 -0.6889 -0.6039 -0.5564 -0.5028 -0.4172 -0.3201 -0.2717 -0.0447 -0.0207 0.4012 0.4414 1.8330 1.8405 2.2107 2.2271 2.5347 2.5478 3.5627 3.5989 3.7001 3.7299 4.2168 4.2581 4.2821 4.3151 4.5200 4.5659 4.7241 4.7446 7.0794 7.0888 8.5108 8.5189 9.2580 9.2917 9.8246 9.8380 k =-0.0707 0.0940 0.8317 ( 5618 PWs) bands (ev): -7.4930 -7.4909 -7.4051 -7.4031 -7.2187 -7.2184 -7.1032 -7.1017 -2.1422 -2.1359 -2.1182 -2.0936 -0.7676 -0.6961 -0.6063 -0.5466 -0.4922 -0.4093 -0.3016 -0.2428 -0.0348 -0.0052 0.3974 0.4463 1.8351 1.8440 2.2103 2.2298 2.5367 2.5524 3.5423 3.5844 3.6697 3.7036 4.2052 4.2526 4.2747 4.3111 4.4909 4.5419 4.7222 4.7430 7.1120 7.1223 8.5301 8.5406 9.2837 9.3249 9.8390 9.8560 k =-0.0825 0.1097 0.8317 ( 5622 PWs) bands (ev): -7.4917 -7.4893 -7.4105 -7.4084 -7.2160 -7.2158 -7.1040 -7.1022 -2.1491 -2.1387 -2.1181 -2.0939 -0.7857 -0.7027 -0.6090 -0.5383 -0.4822 -0.4049 -0.2768 -0.2095 -0.0226 0.0132 0.3935 0.4512 1.8378 1.8480 2.2101 2.2327 2.5391 2.5573 3.5192 3.5660 3.6368 3.6732 4.1926 4.2443 4.2678 4.3058 4.4621 4.5176 4.7175 4.7381 7.1491 7.1600 8.5521 8.5653 9.3082 9.3568 9.8506 9.8723 k =-0.0943 0.1254 0.8317 ( 5606 PWs) bands (ev): -7.4904 -7.4878 -7.4166 -7.4144 -7.2127 -7.2125 -7.1048 -7.1028 -2.1562 -2.1414 -2.1184 -2.0946 -0.8027 -0.7089 -0.6112 -0.5315 -0.4737 -0.4029 -0.2465 -0.1733 -0.0081 0.0347 0.3893 0.4563 1.8412 1.8526 2.2102 2.2359 2.5419 2.5627 3.4937 3.5426 3.6036 3.6395 4.1791 4.2335 4.2612 4.2992 4.4343 4.4934 4.7101 4.7300 7.1900 7.2012 8.5762 8.5925 9.3289 9.3840 9.8553 9.8835 k =-0.1061 0.1410 0.8317 ( 5608 PWs) bands (ev): -7.4893 -7.4866 -7.4232 -7.4209 -7.2088 -7.2088 -7.1055 -7.1033 -2.1633 -2.1441 -2.1191 -2.0955 -0.8184 -0.7150 -0.6127 -0.5263 -0.4667 -0.4023 -0.2115 -0.1356 0.0087 0.0597 0.3848 0.4613 1.8453 1.8579 2.2106 2.2394 2.5451 2.5683 3.4653 3.5124 3.5731 3.6037 4.1646 4.2207 4.2545 4.2914 4.4080 4.4697 4.7002 4.7189 7.2339 7.2452 8.6018 8.6215 9.3434 9.4032 9.8486 9.8856 k =-0.1179 0.1567 0.8317 ( 5604 PWs) bands (ev): -7.4886 -7.4860 -7.4299 -7.4278 -7.2045 -7.2044 -7.1061 -7.1037 -2.1702 -2.1469 -2.1203 -2.0965 -0.8329 -0.7211 -0.6133 -0.5228 -0.4609 -0.4027 -0.1730 -0.0977 0.0280 0.0882 0.3802 0.4664 1.8501 1.8639 2.2114 2.2431 2.5485 2.5741 3.4336 3.4755 3.5466 3.5671 4.1494 4.2064 4.2474 4.2826 4.3833 4.4468 4.6880 4.7054 7.2802 7.2913 8.6282 8.6517 9.3499 9.4121 9.8274 9.8755 k =-0.1297 0.1724 0.8317 ( 5604 PWs) bands (ev): -7.4888 -7.4863 -7.4365 -7.4348 -7.1996 -7.1994 -7.1064 -7.1038 -2.1769 -2.1497 -2.1220 -2.0975 -0.8461 -0.7272 -0.6130 -0.5211 -0.4558 -0.4036 -0.1322 -0.0603 0.0499 0.1202 0.3756 0.4714 1.8557 1.8708 2.2125 2.2473 2.5520 2.5800 3.3981 3.4343 3.5229 3.5313 4.1335 4.1907 4.2396 4.2729 4.3604 4.4249 4.6738 4.6898 7.3281 7.3389 8.6543 8.6820 9.3480 9.4102 9.7916 9.8515 k =-0.1415 0.1881 0.8317 ( 5598 PWs) bands (ev): -7.4903 -7.4880 -7.4426 -7.4414 -7.1942 -7.1939 -7.1065 -7.1037 -2.1833 -2.1527 -2.1242 -2.0984 -0.8580 -0.7334 -0.6121 -0.5210 -0.4513 -0.4048 -0.0908 -0.0242 0.0750 0.1549 0.3715 0.4764 1.8623 1.8786 2.2140 2.2518 2.5557 2.5860 3.3584 3.3911 3.4969 3.5019 4.1170 4.1739 4.2311 4.2624 4.3395 4.4040 4.6577 4.6727 7.3768 7.3872 8.6791 8.7114 9.3379 9.3985 9.7430 9.8143 k =-0.1415 0.1881 0.8317 ( 5598 PWs) bands (ev): -7.4903 -7.4880 -7.4426 -7.4414 -7.1942 -7.1939 -7.1065 -7.1037 -2.1833 -2.1527 -2.1242 -2.0984 -0.8580 -0.7334 -0.6121 -0.5210 -0.4513 -0.4048 -0.0908 -0.0242 0.0750 0.1549 0.3715 0.4764 1.8623 1.8786 2.2140 2.2518 2.5557 2.5860 3.3584 3.3911 3.4969 3.5019 4.1170 4.1739 4.2311 4.2624 4.3395 4.4040 4.6577 4.6727 7.3768 7.3872 8.6791 8.7114 9.3379 9.3985 9.7430 9.8143 k =-0.1504 0.2000 0.8168 ( 5594 PWs) bands (ev): -7.4856 -7.4836 -7.4573 -7.4560 -7.1803 -7.1797 -7.1121 -7.1094 -2.1876 -2.1542 -2.1258 -2.1004 -0.8659 -0.7399 -0.6095 -0.5214 -0.4500 -0.4100 -0.0595 0.0025 0.1182 0.2050 0.3505 0.4578 1.8700 1.8839 2.2092 2.2577 2.5631 2.5859 3.3153 3.3505 3.4961 3.5001 4.0999 4.1428 4.2308 4.2525 4.3399 4.3918 4.6365 4.6469 7.4126 7.4241 8.7030 8.7380 9.3190 9.3748 9.6897 9.7695 k =-0.1594 0.2119 0.8019 ( 5598 PWs) bands (ev): -7.4824 -7.4810 -7.4712 -7.4701 -7.1661 -7.1651 -7.1171 -7.1144 -2.1917 -2.1558 -2.1274 -2.1022 -0.8727 -0.7464 -0.6059 -0.5224 -0.4498 -0.4145 -0.0277 0.0291 0.1636 0.2567 0.3313 0.4399 1.8785 1.8917 2.1985 2.2566 2.5757 2.5917 3.2743 3.3118 3.4947 3.4978 4.0651 4.0999 4.2206 4.2387 4.3531 4.3893 4.6160 4.6198 7.4547 7.4671 8.7277 8.7655 9.2946 9.3457 9.6310 9.7167 k =-0.1684 0.2238 0.7870 ( 5602 PWs) bands (ev): -7.4876 -7.4845 -7.4796 -7.4765 -7.1529 -7.1519 -7.1199 -7.1176 -2.1955 -2.1576 -2.1289 -2.1038 -0.8786 -0.7528 -0.6014 -0.5239 -0.4516 -0.4175 0.0045 0.0554 0.2095 0.3089 0.3155 0.4233 1.8876 1.9021 2.1834 2.2494 2.5911 2.6019 3.2366 3.2764 3.4924 3.4948 4.0173 4.0487 4.2048 4.2185 4.3700 4.3952 4.5926 4.5981 7.5021 7.5153 8.7520 8.7924 9.2662 9.3131 9.5689 9.6580 k =-0.1773 0.2357 0.7721 ( 5598 PWs) bands (ev): -7.5005 -7.4977 -7.4785 -7.4757 -7.1448 -7.1447 -7.1161 -7.1152 -2.1990 -2.1595 -2.1305 -2.1052 -0.8835 -0.7591 -0.5961 -0.5258 -0.4560 -0.4185 0.0371 0.0808 0.2506 0.3073 0.3614 0.4099 1.8973 1.9146 2.1655 2.2376 2.6067 2.6143 3.2036 3.2452 3.4885 3.4910 3.9617 3.9925 4.1832 4.1905 4.3864 4.4069 4.5670 4.5843 7.5537 7.5675 8.7740 8.8166 9.2354 9.2789 9.5059 9.5961 k =-0.1863 0.2476 0.7572 ( 5589 PWs) bands (ev): -7.5135 -7.5105 -7.4778 -7.4750 -7.1456 -7.1444 -7.1047 -7.1041 -2.2022 -2.1615 -2.1320 -2.1064 -0.8875 -0.7652 -0.5903 -0.5279 -0.4627 -0.4179 0.0690 0.1046 0.2684 0.3244 0.3913 0.4239 1.9077 1.9288 2.1460 2.2227 2.6206 2.6267 3.1765 3.2190 3.4824 3.4864 3.9020 3.9337 4.1540 4.1557 4.4010 4.4214 4.5447 4.5760 7.6085 7.6229 8.7913 8.8355 9.2040 9.2450 9.4445 9.5342 k =-0.1952 0.2596 0.7423 ( 5583 PWs) bands (ev): -7.5259 -7.5228 -7.4776 -7.4746 -7.1499 -7.1482 -7.0901 -7.0888 -2.2051 -2.1637 -2.1336 -2.1074 -0.8907 -0.7710 -0.5841 -0.5299 -0.4710 -0.4163 0.0974 0.1269 0.2705 0.3461 0.4038 0.4748 1.9185 1.9443 2.1261 2.2059 2.6315 2.6363 3.1565 3.1984 3.4735 3.4804 3.8410 3.8741 4.1125 4.1196 4.4137 4.4361 4.5266 4.5738 7.6654 7.6801 8.8013 8.8457 9.1739 9.2137 9.3876 9.4759 k =-0.2042 0.2715 0.7274 ( 5587 PWs) bands (ev): -7.5378 -7.5345 -7.4777 -7.4746 -7.1550 -7.1532 -7.0745 -7.0727 -2.2077 -2.1659 -2.1352 -2.1080 -0.8930 -0.7765 -0.5779 -0.5316 -0.4804 -0.4142 0.1151 0.1518 0.2769 0.3443 0.4436 0.5280 1.9296 1.9608 2.1065 2.1885 2.6380 2.6423 3.1445 3.1839 3.4609 3.4724 3.7810 3.8155 4.0654 4.0778 4.4235 4.4501 4.5136 4.5773 7.7233 7.7383 8.8010 8.8438 9.1470 9.1867 9.3385 9.4242 k =-0.2132 0.2834 0.7125 ( 5592 PWs) bands (ev): -7.5490 -7.5455 -7.4779 -7.4746 -7.1604 -7.1586 -7.0588 -7.0567 -2.2099 -2.1683 -2.1369 -2.1083 -0.8946 -0.7814 -0.5721 -0.5326 -0.4905 -0.4121 0.1192 0.1806 0.2916 0.3362 0.4927 0.5807 1.9406 1.9781 2.0880 2.1713 2.6373 2.6459 3.1402 3.1757 3.4430 3.4611 3.7243 3.7596 4.0149 4.0313 4.4300 4.4626 4.5065 4.5855 7.7810 7.7962 8.7883 8.8277 9.1232 9.1648 9.3004 9.3827 k =-0.2221 0.2953 0.6976 ( 5596 PWs) bands (ev): -7.5595 -7.5559 -7.4782 -7.4748 -7.1659 -7.1641 -7.0436 -7.0412 -2.2119 -2.1706 -2.1386 -2.1083 -0.8956 -0.7858 -0.5678 -0.5323 -0.5007 -0.4101 0.1148 0.2078 0.3122 0.3314 0.5434 0.6319 1.9511 1.9956 2.0716 2.1556 2.6300 2.6468 3.1424 3.1738 3.4181 3.4449 3.6731 3.7088 3.9629 3.9816 4.4333 4.4716 4.5068 4.5971 7.8375 7.8528 8.7633 8.7980 9.1009 9.1458 9.2765 9.3539 k =-0.2311 0.3072 0.6826 ( 5590 PWs) bands (ev): -7.5693 -7.5655 -7.4784 -7.4749 -7.1713 -7.1695 -7.0290 -7.0264 -2.2135 -2.1730 -2.1405 -2.1079 -0.8960 -0.7894 -0.5655 -0.5309 -0.5100 -0.4082 0.1058 0.2279 0.3280 0.3433 0.5935 0.6810 1.9604 2.0119 2.0590 2.1428 2.6175 2.6447 3.1482 3.1783 3.3849 3.4217 3.6292 3.6656 3.9112 3.9306 4.4343 4.4760 4.5148 4.6108 7.8919 7.9072 8.7285 8.7582 9.0784 9.1265 9.2676 9.3387 k =-0.2401 0.3191 0.6677 ( 5594 PWs) bands (ev): -7.5783 -7.5744 -7.4785 -7.4749 -7.1766 -7.1748 -7.0153 -7.0125 -2.2148 -2.1752 -2.1425 -2.1073 -0.8961 -0.7921 -0.5657 -0.5318 -0.5147 -0.4065 0.0946 0.2360 0.3429 0.3702 0.6420 0.7274 1.9676 2.0228 2.0546 2.1347 2.6013 2.6400 3.1546 3.1887 3.3443 3.3898 3.5938 3.6311 3.8618 3.8803 4.4337 4.4779 4.5273 4.6254 7.9432 7.9585 8.6875 8.7122 9.0559 9.1052 9.2717 9.3354 k =-0.2490 0.3310 0.6528 ( 5592 PWs) bands (ev): -7.5866 -7.5826 -7.4785 -7.4748 -7.1817 -7.1800 -7.0025 -6.9996 -2.2159 -2.1774 -2.1445 -2.1065 -0.8960 -0.7937 -0.5683 -0.5383 -0.5113 -0.4050 0.0824 0.2336 0.3665 0.3992 0.6880 0.7703 1.9720 2.0229 2.0634 2.1335 2.5828 2.6332 3.1593 3.2004 3.3011 3.3497 3.5666 3.6040 3.8162 3.8323 4.4323 4.4793 4.5417 4.6402 7.9908 8.0059 8.6439 8.6639 9.0343 9.0830 9.2849 9.3405 k =-0.2580 0.3430 0.6379 ( 5594 PWs) bands (ev): -7.5941 -7.5899 -7.4782 -7.4744 -7.1866 -7.1850 -6.9909 -6.9879 -2.2168 -2.1794 -2.1466 -2.1054 -0.8958 -0.7942 -0.5734 -0.5459 -0.5041 -0.4038 0.0699 0.2255 0.3946 0.4281 0.7304 0.8093 1.9737 2.0186 2.0784 2.1408 2.5632 2.6248 3.1576 3.2004 3.2689 3.3075 3.5459 3.5817 3.7760 3.7886 4.4304 4.4807 4.5567 4.6547 8.0338 8.0491 8.6005 8.6161 9.0147 9.0617 9.3037 9.3506 k =-0.2670 0.3549 0.6230 ( 5590 PWs) bands (ev): -7.6007 -7.5965 -7.4777 -7.4739 -7.1912 -7.1897 -6.9805 -6.9773 -2.2175 -2.1813 -2.1487 -2.1042 -0.8957 -0.7933 -0.5812 -0.5520 -0.4955 -0.4029 0.0574 0.2148 0.4237 0.4560 0.7686 0.8437 1.9740 2.0143 2.0954 2.1560 2.5437 2.6155 3.1342 3.1804 3.2459 3.2912 3.5298 3.5620 3.7419 3.7508 4.4281 4.4820 4.5718 4.6684 8.0720 8.0876 8.5594 8.5713 8.9977 9.0421 9.3254 9.3634 k =-0.2759 0.3668 0.6081 ( 5590 PWs) bands (ev): -7.6065 -7.6022 -7.4769 -7.4730 -7.1957 -7.1942 -6.9714 -6.9681 -2.2181 -2.1828 -2.1507 -2.1029 -0.8958 -0.7910 -0.5910 -0.5563 -0.4864 -0.4022 0.0452 0.2029 0.4518 0.4824 0.8016 0.8733 1.9746 2.0108 2.1143 2.1773 2.5254 2.6056 3.0852 3.1457 3.2264 3.3073 3.5167 3.5433 3.7132 3.7211 4.4258 4.4831 4.5868 4.6811 8.1049 8.1213 8.5218 8.5318 8.9832 9.0250 9.3472 9.3774 k =-0.2849 0.3787 0.5932 ( 5588 PWs) bands (ev): -7.6115 -7.6070 -7.4757 -7.4719 -7.1998 -7.1984 -6.9637 -6.9603 -2.2185 -2.1842 -2.1526 -2.1015 -0.8962 -0.7872 -0.6021 -0.5595 -0.4770 -0.4016 0.0333 0.1903 0.4776 0.5067 0.8287 0.8978 1.9764 2.0087 2.1356 2.2028 2.5092 2.5959 3.0268 3.0929 3.2243 3.3312 3.5056 3.5252 3.6892 3.7004 4.4233 4.4840 4.6013 4.6924 8.1325 8.1502 8.4886 8.4994 8.9714 9.0105 9.3664 9.3922 k =-0.2938 0.3906 0.5783 ( 5590 PWs) bands (ev): -7.6156 -7.6111 -7.4743 -7.4705 -7.2036 -7.2023 -6.9573 -6.9539 -2.2189 -2.1851 -2.1544 -2.1000 -0.8968 -0.7820 -0.6137 -0.5618 -0.4675 -0.4013 0.0219 0.1773 0.5000 0.5284 0.8493 0.9175 1.9796 2.0082 2.1592 2.2311 2.4962 2.5869 2.9656 3.0335 3.2291 3.3567 3.4966 3.5085 3.6708 3.6871 4.4208 4.4845 4.6152 4.7021 8.1550 8.1741 8.4611 8.4750 8.9620 8.9986 9.3802 9.4076 k =-0.3028 0.4025 0.5634 ( 5592 PWs) bands (ev): -7.6188 -7.6142 -7.4724 -7.4687 -7.2072 -7.2059 -6.9524 -6.9489 -2.2193 -2.1858 -2.1561 -2.0986 -0.8978 -0.7754 -0.6253 -0.5636 -0.4580 -0.4011 0.0110 0.1642 0.5182 0.5472 0.8630 0.9326 1.9841 2.0093 2.1850 2.2615 2.4876 2.5797 2.9040 2.9727 3.2367 3.3817 3.4896 3.4946 3.6579 3.6796 4.4182 4.4846 4.6282 4.7101 8.1724 8.1931 8.4407 8.4588 8.9547 8.9892 9.3881 9.4213 k =-0.3118 0.4145 0.5484 ( 5598 PWs) bands (ev): -7.6211 -7.6165 -7.4703 -7.4666 -7.2104 -7.2092 -6.9490 -6.9454 -2.2197 -2.1861 -2.1575 -2.0971 -0.8990 -0.7676 -0.6368 -0.5650 -0.4487 -0.4010 0.0006 0.1509 0.5314 0.5626 0.8699 0.9433 1.9889 2.0116 2.2124 2.2930 2.4843 2.5749 2.8433 2.9129 3.2462 3.4027 3.4850 3.4870 3.6496 3.6769 4.4156 4.4844 4.6401 4.7162 8.1852 8.2071 8.4284 8.4508 8.9492 8.9822 9.3907 9.4305 k =-0.3207 0.4264 0.5335 ( 5599 PWs) bands (ev): -7.6226 -7.6179 -7.4678 -7.4642 -7.2133 -7.2122 -6.9471 -6.9434 -2.2201 -2.1861 -2.1587 -2.0957 -0.9004 -0.7587 -0.6479 -0.5661 -0.4397 -0.4010 -0.0092 0.1377 0.5391 0.5741 0.8708 0.9499 1.9928 2.0152 2.2403 2.3245 2.4872 2.5732 2.7854 2.8560 3.2572 3.4140 3.4826 3.4921 3.6452 3.6784 4.4129 4.4838 4.6507 4.7203 8.1935 8.2162 8.4247 8.4509 8.9452 8.9773 9.3886 9.4336 k =-0.3207 0.4264 0.5335 ( 5599 PWs) bands (ev): -7.6226 -7.6179 -7.4678 -7.4642 -7.2133 -7.2122 -6.9471 -6.9434 -2.2201 -2.1861 -2.1587 -2.0957 -0.9004 -0.7587 -0.6479 -0.5661 -0.4397 -0.4010 -0.0092 0.1377 0.5391 0.5741 0.8708 0.9499 1.9928 2.0152 2.2403 2.3245 2.4872 2.5732 2.7854 2.8560 3.2572 3.4140 3.4826 3.4921 3.6452 3.6784 4.4129 4.4838 4.6507 4.7203 8.1935 8.2162 8.4247 8.4509 8.9452 8.9773 9.3886 9.4336 k =-0.3118 0.4145 0.5187 ( 5595 PWs) bands (ev): -7.6290 -7.6246 -7.4590 -7.4551 -7.2167 -7.2159 -6.9444 -6.9406 -2.2208 -2.1836 -2.1552 -2.0954 -0.8954 -0.7537 -0.6440 -0.5586 -0.4410 -0.4057 -0.0067 0.1279 0.5239 0.5617 0.8923 0.9761 1.9745 1.9913 2.2150 2.2977 2.4810 2.5713 2.7608 2.8308 3.2280 3.3917 3.4624 3.5117 3.6330 3.6978 4.4279 4.4974 4.6630 4.7314 8.2429 8.2669 8.4800 8.5040 8.9892 9.0252 9.4075 9.4497 k =-0.3029 0.4027 0.5039 ( 5579 PWs) bands (ev): -7.6396 -7.6357 -7.4481 -7.4440 -7.2173 -7.2168 -6.9416 -6.9378 -2.2210 -2.1811 -2.1515 -2.0951 -0.8898 -0.7491 -0.6403 -0.5514 -0.4443 -0.4095 -0.0078 0.1141 0.5083 0.5473 0.9205 1.0066 1.9559 1.9670 2.1897 2.2712 2.4762 2.5707 2.7360 2.8048 3.1995 3.3648 3.4491 3.5300 3.6305 3.7236 4.4377 4.5046 4.6740 4.7404 8.2877 8.3128 8.5381 8.5597 9.0250 9.0634 9.4250 9.4662 k =-0.2940 0.3908 0.4891 ( 5585 PWs) bands (ev): -7.6542 -7.6508 -7.4353 -7.4311 -7.2154 -7.2152 -6.9387 -6.9349 -2.2206 -2.1786 -2.1475 -2.0948 -0.8834 -0.7451 -0.6364 -0.5448 -0.4493 -0.4123 -0.0121 0.0972 0.4930 0.5318 0.9534 1.0400 1.9366 1.9428 2.1653 2.2456 2.4729 2.5716 2.7109 2.7781 3.1718 3.3342 3.4440 3.5442 3.6403 3.7539 4.4421 4.5053 4.6836 4.7473 8.3276 8.3532 8.5990 8.6181 9.0535 9.0923 9.4407 9.4820 k =-0.2851 0.3790 0.4743 ( 5581 PWs) bands (ev): -7.6722 -7.6691 -7.4208 -7.4165 -7.2115 -7.2113 -6.9359 -6.9321 -2.2197 -2.1761 -2.1433 -2.0946 -0.8764 -0.7417 -0.6325 -0.5394 -0.4554 -0.4141 -0.0193 0.0781 0.4782 0.5159 0.9892 1.0752 1.9143 1.9216 2.1425 2.2214 2.4708 2.5732 2.6861 2.7512 3.1457 3.3026 3.4454 3.5542 3.6616 3.7877 4.4407 4.4994 4.6914 4.7520 8.3619 8.3878 8.6622 8.6788 9.0760 9.1138 9.4542 9.4954 k =-0.2762 0.3672 0.4594 ( 5581 PWs) bands (ev): -7.6928 -7.6901 -7.4050 -7.4006 -7.2058 -7.2056 -6.9331 -6.9292 -2.2182 -2.1736 -2.1390 -2.0944 -0.8688 -0.7391 -0.6283 -0.5360 -0.4612 -0.4155 -0.0290 0.0579 0.4638 0.4998 1.0262 1.1112 1.8896 1.9031 2.1215 2.1987 2.4690 2.5743 2.6628 2.7248 3.1222 3.2724 3.4515 3.5623 3.6909 3.8242 4.4335 4.4875 4.6971 4.7543 8.3907 8.4161 8.7275 8.7416 9.0939 9.1297 9.4654 9.5058 k =-0.2673 0.3553 0.4446 ( 5593 PWs) bands (ev): -7.7154 -7.7132 -7.3881 -7.3837 -7.1987 -7.1983 -6.9302 -6.9264 -2.2163 -2.1711 -2.1345 -2.0943 -0.8606 -0.7373 -0.6239 -0.5356 -0.4654 -0.4166 -0.0413 0.0377 0.4499 0.4839 1.0632 1.1471 1.8650 1.8860 2.1029 2.1779 2.4668 2.5717 2.6437 2.6995 3.1030 3.2454 3.4610 3.5701 3.7254 3.8631 4.4205 4.4702 4.7004 4.7544 8.4135 8.4379 8.7944 8.8061 9.1087 9.1418 9.4745 9.5130 k =-0.2584 0.3435 0.4298 ( 5593 PWs) bands (ev): -7.7397 -7.7378 -7.3704 -7.3660 -7.1904 -7.1898 -6.9274 -6.9236 -2.2138 -2.1687 -2.1299 -2.0943 -0.8521 -0.7364 -0.6196 -0.5388 -0.4667 -0.4176 -0.0562 0.0188 0.4364 0.4682 1.0987 1.1818 1.8415 1.8705 2.0867 2.1590 2.4631 2.5614 2.6319 2.6762 3.0898 3.2233 3.4729 3.5781 3.7631 3.9041 4.4016 4.4479 4.7010 4.7523 8.4303 8.4530 8.8623 8.8718 9.1216 9.1518 9.4819 9.5176 k =-0.2495 0.3316 0.4150 ( 5595 PWs) bands (ev): -7.7650 -7.7634 -7.3521 -7.3476 -7.1812 -7.1804 -6.9246 -6.9208 -2.2108 -2.1662 -2.1252 -2.0944 -0.8433 -0.7363 -0.6155 -0.5452 -0.4654 -0.4186 -0.0734 0.0019 0.4230 0.4528 1.1318 1.2145 1.8198 1.8570 2.0730 2.1422 2.4568 2.5429 2.6263 2.6559 3.0846 3.2076 3.4860 3.5859 3.8031 3.9468 4.3773 4.4213 4.6989 4.7484 8.4405 8.4610 8.9302 8.9381 9.1340 9.1608 9.4882 9.5202 k =-0.2406 0.3198 0.4002 ( 5605 PWs) bands (ev): -7.7911 -7.7897 -7.3333 -7.3288 -7.1712 -7.1703 -6.9218 -6.9181 -2.2074 -2.1636 -2.1206 -2.0945 -0.8346 -0.7366 -0.6124 -0.5533 -0.4621 -0.4192 -0.0925 -0.0126 0.4098 0.4377 1.1615 1.2442 1.8004 1.8457 2.0620 2.1279 2.4472 2.5195 2.6195 2.6416 3.0887 3.1999 3.4996 3.5929 3.8446 3.9907 4.3480 4.3911 4.6941 4.7431 8.4437 8.4617 8.9963 9.0038 9.1481 9.1698 9.4936 9.5210 k =-0.2316 0.3079 0.3853 ( 5597 PWs) bands (ev): -7.8177 -7.8165 -7.3141 -7.3097 -7.1607 -7.1597 -6.9191 -6.9154 -2.2036 -2.1611 -2.1161 -2.0948 -0.8264 -0.7371 -0.6109 -0.5617 -0.4578 -0.4195 -0.1127 -0.0247 0.3967 0.4230 1.1870 1.2700 1.7839 1.8370 2.0539 2.1163 2.4340 2.4940 2.6063 2.6350 3.1031 3.2011 3.5129 3.5984 3.8871 4.0355 4.3146 4.3575 4.6870 4.7369 8.4390 8.4550 9.0558 9.0672 9.1683 9.1803 9.4983 9.5196 k =-0.2227 0.2961 0.3705 ( 5589 PWs) bands (ev): -7.8444 -7.8434 -7.2947 -7.2904 -7.1498 -7.1487 -6.9164 -6.9129 -2.1994 -2.1586 -2.1117 -2.0951 -0.8194 -0.7370 -0.6123 -0.5686 -0.4534 -0.4190 -0.1329 -0.0350 0.3837 0.4085 1.2081 1.2914 1.7705 1.8304 2.0491 2.1079 2.4171 2.4677 2.5907 2.6308 3.1278 3.2119 3.5251 3.6017 3.9297 4.0801 4.2786 4.3213 4.6780 4.7303 8.4254 8.4407 9.1003 9.1234 9.1942 9.2033 9.5018 9.5142 k =-0.2138 0.2842 0.3557 ( 5601 PWs) bands (ev): -7.8711 -7.8703 -7.2752 -7.2710 -7.1386 -7.1375 -6.9138 -6.9104 -2.1949 -2.1560 -2.1076 -2.0953 -0.8148 -0.7352 -0.6169 -0.5733 -0.4494 -0.4174 -0.1523 -0.0437 0.3708 0.3944 1.2246 1.3078 1.7600 1.8253 2.0479 2.1032 2.3963 2.4416 2.5758 2.6258 3.1620 3.2322 3.5358 3.6021 3.9714 4.1219 4.2437 4.2832 4.6677 4.7241 8.4020 8.4184 9.1264 9.1629 9.2171 9.2541 9.4960 9.5093 k =-0.2049 0.2724 0.3409 ( 5603 PWs) bands (ev): -7.8977 -7.8969 -7.2557 -7.2516 -7.1274 -7.1262 -6.9113 -6.9079 -2.1902 -2.1535 -2.1039 -2.0955 -0.8134 -0.7309 -0.6244 -0.5761 -0.4461 -0.4146 -0.1703 -0.0510 0.3580 0.3806 1.2369 1.3194 1.7518 1.8207 2.0507 2.1027 2.3715 2.4163 2.5626 2.6200 3.2046 3.2612 3.5447 3.5994 4.0097 4.1481 4.2234 4.2457 4.6568 4.7188 8.3686 8.3874 9.1420 9.1838 9.2415 9.3057 9.4696 9.5158 k =-0.1960 0.2606 0.3261 ( 5595 PWs) bands (ev): -7.9238 -7.9232 -7.2363 -7.2323 -7.1160 -7.1149 -6.9088 -6.9056 -2.1852 -2.1509 -2.1009 -2.0952 -0.8155 -0.7236 -0.6335 -0.5782 -0.4435 -0.4106 -0.1863 -0.0571 0.3454 0.3672 1.2456 1.3265 1.7453 1.8158 2.0577 2.1065 2.3432 2.3919 2.5519 2.6139 3.2543 3.2970 3.5516 3.5933 4.0369 4.1386 4.2048 4.2501 4.6460 4.7150 8.3253 8.3472 9.1513 9.1956 9.2441 9.3203 9.4580 9.5340 k =-0.1871 0.2487 0.3112 ( 5599 PWs) bands (ev): -7.9495 -7.9490 -7.2170 -7.2131 -7.1048 -7.1036 -6.9065 -6.9034 -2.1800 -2.1484 -2.0995 -2.0937 -0.8208 -0.7139 -0.6432 -0.5802 -0.4415 -0.4061 -0.1999 -0.0621 0.3329 0.3541 1.2516 1.3302 1.7394 1.8098 2.0682 2.1144 2.3125 2.3680 2.5441 2.6084 3.3097 3.3371 3.5563 3.5852 4.0352 4.1201 4.1855 4.2910 4.6362 4.7132 8.2724 8.2973 9.1501 9.2006 9.2176 9.2694 9.4980 9.5680 k =-0.1782 0.2369 0.2964 ( 5597 PWs) bands (ev): -7.9746 -7.9742 -7.1979 -7.1942 -7.0937 -7.0925 -6.9043 -6.9013 -2.1747 -2.1460 -2.0994 -2.0913 -0.8283 -0.7032 -0.6524 -0.5823 -0.4399 -0.4014 -0.2107 -0.0659 0.3205 0.3414 1.2557 1.3313 1.7335 1.8025 2.0813 2.1257 2.2802 2.3447 2.5395 2.6042 3.3682 3.3780 3.5549 3.5822 4.0044 4.0899 4.2014 4.3362 4.6283 4.7137 8.2104 8.2377 9.1163 9.1642 9.1925 9.2263 9.5551 9.6112 k =-0.1693 0.2250 0.2816 ( 5609 PWs) bands (ev): -7.9990 -7.9986 -7.1791 -7.1756 -7.0828 -7.0816 -6.9021 -6.8994 -2.1694 -2.1435 -2.0997 -2.0888 -0.8373 -0.6951 -0.6582 -0.5842 -0.4387 -0.3972 -0.2185 -0.0688 0.3083 0.3292 1.2588 1.3309 1.7272 1.7938 2.0949 2.1391 2.2475 2.3224 2.5381 2.6017 3.4071 3.4338 3.5419 3.5958 3.9634 4.0515 4.2358 4.3820 4.6229 4.7167 8.1400 8.1691 9.0459 9.0770 9.1840 9.2190 9.6083 9.6512 k =-0.1604 0.2132 0.2668 ( 5611 PWs) bands (ev): -8.0225 -8.0222 -7.1608 -7.1574 -7.0721 -7.0710 -6.9001 -6.8976 -2.1640 -2.1412 -2.1002 -2.0866 -0.8472 -0.6958 -0.6546 -0.5857 -0.4380 -0.3939 -0.2232 -0.0706 0.2963 0.3173 1.2618 1.3300 1.7202 1.7841 2.1063 2.1522 2.2160 2.3025 2.5400 2.6015 3.4249 3.4968 3.5227 3.6264 3.9211 4.0133 4.2754 4.4268 4.6208 4.7223 8.0619 8.0920 8.9614 8.9836 9.1729 9.2103 9.6497 9.6830 k =-0.1515 0.2013 0.2519 ( 5607 PWs) bands (ev): -8.0452 -8.0450 -7.1428 -7.1397 -7.0618 -7.0607 -6.8983 -6.8959 -2.1587 -2.1389 -2.1007 -2.0848 -0.8574 -0.7050 -0.6425 -0.5865 -0.4379 -0.3917 -0.2246 -0.0714 0.2844 0.3060 1.2653 1.3294 1.7127 1.7738 2.1123 2.1565 2.1931 2.2867 2.5451 2.6037 3.4270 3.5010 3.5572 3.6689 3.8832 3.9805 4.3161 4.4694 4.6229 4.7304 7.9770 8.0075 8.8723 8.8904 9.1537 9.1936 9.6838 9.7130 k =-0.1425 0.1895 0.2371 ( 5595 PWs) bands (ev): -8.0670 -8.0667 -7.1254 -7.1225 -7.0518 -7.0507 -6.8965 -6.8943 -2.1535 -2.1367 -2.1011 -2.0833 -0.8676 -0.7176 -0.6271 -0.5862 -0.4386 -0.3908 -0.2229 -0.0712 0.2727 0.2950 1.2701 1.3298 1.7051 1.7632 2.1101 2.1359 2.1936 2.2762 2.5532 2.6086 3.4183 3.4785 3.6081 3.7080 3.8608 3.9598 4.3568 4.5084 4.6304 4.7408 7.8863 7.9166 8.7828 8.7992 9.1251 9.1670 9.7176 9.7459 k =-0.1336 0.1777 0.2223 ( 5583 PWs) bands (ev): -8.0876 -8.0875 -7.1086 -7.1060 -7.0423 -7.0412 -6.8949 -6.8929 -2.1485 -2.1347 -2.1015 -2.0823 -0.8774 -0.7316 -0.6111 -0.5843 -0.4401 -0.3910 -0.2187 -0.0701 0.2612 0.2844 1.2766 1.3318 1.6975 1.7529 2.0989 2.1058 2.2010 2.2706 2.5644 2.6163 3.4038 3.4563 3.6394 3.7175 3.8765 3.9612 4.3967 4.5416 4.6450 4.7531 7.7909 7.8203 8.6955 8.7111 9.0873 9.1301 9.7543 9.7830 k =-0.1247 0.1658 0.2075 ( 5579 PWs) bands (ev): -8.1073 -8.1071 -7.0925 -7.0900 -7.0332 -7.0322 -6.8935 -6.8917 -2.1436 -2.1327 -2.1019 -2.0817 -0.8867 -0.7463 -0.5967 -0.5792 -0.4424 -0.3920 -0.2123 -0.0682 0.2500 0.2741 1.2853 1.3356 1.6903 1.7429 2.0738 2.0812 2.2054 2.2669 2.5785 2.6269 3.3869 3.4353 3.6435 3.6968 3.9289 3.9914 4.4355 4.5678 4.6675 4.7672 7.6917 7.7198 8.6117 8.6266 9.0415 9.0842 9.7948 9.8243 k =-0.1158 0.1540 0.1927 ( 5579 PWs) bands (ev): -8.1257 -8.1256 -7.0770 -7.0748 -7.0246 -7.0236 -6.8922 -6.8907 -2.1389 -2.1308 -2.1021 -2.0815 -0.8952 -0.7614 -0.5879 -0.5675 -0.4455 -0.3935 -0.2042 -0.0656 0.2391 0.2640 1.2964 1.3418 1.6838 1.7338 2.0428 2.0580 2.2044 2.2618 2.5952 2.6401 3.3700 3.4162 3.6253 3.6658 3.9966 4.0451 4.4731 4.5883 4.6963 4.7826 7.5898 7.6163 8.5324 8.5464 8.9896 9.0312 9.8388 9.8693 k =-0.1069 0.1421 0.1778 ( 5577 PWs) bands (ev): -8.1430 -8.1429 -7.0624 -7.0604 -7.0165 -7.0156 -6.8912 -6.8898 -2.1345 -2.1290 -2.1023 -2.0818 -0.9029 -0.7764 -0.5826 -0.5516 -0.4494 -0.3952 -0.1948 -0.0625 0.2286 0.2542 1.3102 1.3504 1.6783 1.7257 2.0126 2.0321 2.1970 2.2528 2.6141 2.6556 3.3550 3.3996 3.5959 3.6318 4.0701 4.1118 4.5096 4.6060 4.7283 4.7991 7.4862 7.5107 8.4581 8.4711 8.9337 8.9734 9.8856 9.9171 k =-0.0980 0.1303 0.1630 ( 5585 PWs) bands (ev): -8.1590 -8.1589 -7.0486 -7.0468 -7.0089 -7.0081 -6.8902 -6.8890 -2.1304 -2.1272 -2.1024 -2.0824 -0.9096 -0.7912 -0.5779 -0.5350 -0.4538 -0.3970 -0.1845 -0.0589 0.2184 0.2445 1.3268 1.3618 1.6739 1.7189 1.9832 2.0047 2.1830 2.2386 2.6346 2.6727 3.3429 3.3860 3.5629 3.5968 4.1454 4.1836 4.5454 4.6233 4.7610 4.8163 7.3818 7.4042 8.3893 8.4011 8.8758 8.9129 9.9344 9.9669 k =-0.0891 0.1184 0.1482 ( 5597 PWs) bands (ev): -8.1738 -8.1737 -7.0356 -7.0342 -7.0020 -7.0012 -6.8895 -6.8885 -2.1266 -2.1255 -2.1024 -2.0834 -0.9153 -0.8057 -0.5730 -0.5188 -0.4586 -0.3987 -0.1735 -0.0552 0.2088 0.2350 1.3462 1.3758 1.6707 1.7137 1.9550 1.9766 2.1625 2.2188 2.6559 2.6907 3.3343 3.3755 3.5299 3.5621 4.2197 4.2556 4.5811 4.6420 4.7929 4.8339 7.2779 7.2979 8.3263 8.3368 8.8176 8.8519 9.9843 10.0176 k =-0.0802 0.1066 0.1334 ( 5591 PWs) bands (ev): -8.1873 -8.1872 -7.0237 -7.0224 -6.9956 -6.9949 -6.8889 -6.8881 -2.1238 -2.1231 -2.1024 -2.0848 -0.9199 -0.8196 -0.5679 -0.5038 -0.4633 -0.4003 -0.1620 -0.0515 0.1998 0.2256 1.3685 1.3927 1.6688 1.7105 1.9279 1.9486 2.1361 2.1936 2.6773 2.7089 3.3294 3.3681 3.4985 3.5289 4.2903 4.3244 4.6179 4.6639 4.8232 4.8518 7.1754 7.1930 8.2691 8.2784 8.7608 8.7920 10.0342 10.0683 k =-0.0713 0.0947 0.1186 ( 5595 PWs) bands (ev): -8.1994 -8.1993 -7.0127 -7.0117 -6.9898 -6.9892 -6.8886 -6.8879 -2.1221 -2.1200 -2.1024 -2.0864 -0.9234 -0.8330 -0.5625 -0.4911 -0.4668 -0.4018 -0.1501 -0.0481 0.1913 0.2163 1.3933 1.4124 1.6679 1.7097 1.9019 1.9211 2.1044 2.1636 2.6981 2.7264 3.3280 3.3634 3.4696 3.4979 4.3543 4.3863 4.6571 4.6906 4.8515 4.8695 7.0756 7.0907 8.2181 8.2260 8.7067 8.7347 10.0834 10.1180 k =-0.0624 0.0829 0.1037 ( 5603 PWs) bands (ev): -8.2102 -8.2101 -7.0028 -7.0020 -6.9846 -6.9841 -6.8884 -6.8878 -2.1204 -2.1172 -2.1023 -2.0883 -0.9257 -0.8457 -0.5569 -0.4849 -0.4654 -0.4031 -0.1379 -0.0452 0.1837 0.2073 1.4201 1.4349 1.6679 1.7117 1.8768 1.8950 2.0686 2.1297 2.7177 2.7427 3.3295 3.3611 3.4439 3.4697 4.4091 4.4382 4.6998 4.7234 4.8778 4.8871 6.9798 6.9926 8.1731 8.1798 8.6566 8.6812 10.1309 10.1653 k =-0.0535 0.0711 0.0889 ( 5605 PWs) bands (ev): -8.2196 -8.2195 -6.9941 -6.9934 -6.9801 -6.9796 -6.8883 -6.8879 -2.1186 -2.1147 -2.1023 -2.0903 -0.9268 -0.8576 -0.5512 -0.4867 -0.4573 -0.4044 -0.1255 -0.0432 0.1769 0.1987 1.4479 1.4607 1.6686 1.7169 1.8522 1.8712 2.0296 2.0928 2.7355 2.7573 3.3333 3.3602 3.4216 3.4446 4.4534 4.4785 4.7458 4.7617 4.9022 4.9045 6.8897 6.9001 8.1343 8.1399 8.6113 8.6326 10.1758 10.2090 k =-0.0445 0.0592 0.0741 ( 5593 PWs) bands (ev): -8.2275 -8.2275 -6.9866 -6.9861 -6.9761 -6.9757 -6.8884 -6.8881 -2.1168 -2.1125 -2.1023 -2.0925 -0.9269 -0.8687 -0.5456 -0.4912 -0.4479 -0.4056 -0.1132 -0.0422 0.1712 0.1905 1.4752 1.4898 1.6699 1.7253 1.8280 1.8504 1.9889 2.0542 2.7513 2.7697 3.3386 3.3603 3.4031 3.4229 4.4871 4.5077 4.7924 4.8026 4.9222 4.9253 6.8070 6.8152 8.1016 8.1062 8.5719 8.5897 10.2169 10.2472 k =-0.0356 0.0474 0.0593 ( 5585 PWs) bands (ev): -8.2341 -8.2340 -6.9804 -6.9801 -6.9728 -6.9725 -6.8885 -6.8883 -2.1149 -2.1107 -2.1024 -2.0948 -0.9258 -0.8789 -0.5399 -0.4964 -0.4392 -0.4069 -0.1010 -0.0425 0.1666 0.1829 1.5018 1.5209 1.6718 1.7365 1.8045 1.8332 1.9480 2.0149 2.7648 2.7797 3.3448 3.3604 3.3885 3.4050 4.5119 4.5278 4.8350 4.8410 4.9411 4.9479 6.7341 6.7403 8.0750 8.0786 8.5390 8.5533 10.2530 10.2783 k =-0.0267 0.0355 0.0445 ( 5585 PWs) bands (ev): -8.2391 -8.2391 -6.9757 -6.9754 -6.9700 -6.9697 -6.8887 -6.8886 -2.1129 -2.1092 -2.1025 -2.0971 -0.9236 -0.8882 -0.5343 -0.5018 -0.4317 -0.4085 -0.0893 -0.0443 0.1634 0.1762 1.5275 1.5509 1.6753 1.7494 1.7828 1.8198 1.9097 1.9761 2.7759 2.7872 3.3511 3.3600 3.3776 3.3908 4.5295 4.5409 4.8684 4.8718 4.9621 4.9703 6.6734 6.6777 8.0545 8.0572 8.5133 8.5240 10.2821 10.3010 k =-0.0178 0.0237 0.0296 ( 5585 PWs) bands (ev): -8.2428 -8.2428 -6.9725 -6.9723 -6.9677 -6.9675 -6.8889 -6.8888 -2.1109 -2.1081 -2.1026 -2.0993 -0.9203 -0.8966 -0.5288 -0.5072 -0.4254 -0.4104 -0.0784 -0.0478 0.1617 0.1705 1.5512 1.5751 1.6825 1.7565 1.7681 1.8095 1.8796 1.9393 2.7843 2.7920 3.3569 3.3593 3.3699 3.3807 4.5415 4.5488 4.8903 4.8925 4.9835 4.9904 6.6276 6.6303 8.0401 8.0419 8.4950 8.5022 10.3028 10.3151 k =-0.0089 0.0118 0.0148 ( 5577 PWs) bands (ev): -8.2450 -8.2450 -6.9707 -6.9706 -6.9662 -6.9661 -6.8890 -6.8890 -2.1091 -2.1075 -2.1027 -2.1012 -0.9159 -0.9040 -0.5234 -0.5126 -0.4203 -0.4129 -0.0686 -0.0531 0.1616 0.1660 1.5711 1.5871 1.6969 1.7394 1.7757 1.7985 1.8685 1.9064 2.7902 2.7941 3.3584 3.3615 3.3657 3.3740 4.5489 4.5525 4.9024 4.9035 5.0003 5.0041 6.5991 6.6004 8.0316 8.0325 8.4847 8.4883 10.3154 10.3214 k = 0.0000 0.0000 0.0000 ( 5581 PWs) bands (ev): -8.2457 -8.2457 -6.9701 -6.9701 -6.9656 -6.9656 -6.8891 -6.8891 -2.1078 -2.1078 -2.1023 -2.1023 -0.9105 -0.9105 -0.5180 -0.5180 -0.4162 -0.4162 -0.0600 -0.0600 0.1630 0.1630 1.5846 1.5846 1.7178 1.7178 1.7860 1.7860 1.8805 1.8805 2.7935 2.7935 3.3596 3.3596 3.3690 3.3690 4.5525 4.5525 4.9066 4.9066 5.0078 5.0078 6.5898 6.5898 8.0291 8.0291 8.4824 8.4824 10.3213 10.3213 k = 0.0000 0.0000 0.0000 ( 5581 PWs) bands (ev): -8.2457 -8.2457 -6.9701 -6.9701 -6.9656 -6.9656 -6.8891 -6.8891 -2.1078 -2.1078 -2.1023 -2.1023 -0.9105 -0.9105 -0.5180 -0.5180 -0.4162 -0.4162 -0.0600 -0.0600 0.1630 0.1630 1.5846 1.5846 1.7178 1.7178 1.7860 1.7860 1.8805 1.8805 2.7935 2.7935 3.3596 3.3596 3.3690 3.3690 4.5525 4.5525 4.9066 4.9066 5.0078 5.0078 6.5898 6.5898 8.0291 8.0291 8.4824 8.4824 10.3213 10.3213 k = 0.0167 0.0125 0.0000 ( 5577 PWs) bands (ev): -8.2450 -8.2450 -6.9701 -6.9701 -6.9656 -6.9656 -6.8902 -6.8902 -2.1101 -2.1101 -2.1004 -2.1004 -0.9103 -0.9103 -0.5174 -0.5174 -0.4166 -0.4166 -0.0595 -0.0595 0.1608 0.1608 1.5883 1.5883 1.7185 1.7185 1.7872 1.7872 1.8795 1.8795 2.7957 2.7957 3.3607 3.3607 3.3705 3.3705 4.5492 4.5492 4.9029 4.9029 5.0057 5.0057 6.5947 6.5947 8.0314 8.0314 8.4840 8.4840 10.3080 10.3080 k = 0.0333 0.0251 0.0000 ( 5573 PWs) bands (ev): -8.2427 -8.2427 -6.9702 -6.9702 -6.9657 -6.9657 -6.8936 -6.8936 -2.1143 -2.1143 -2.0974 -2.0974 -0.9098 -0.9098 -0.5158 -0.5158 -0.4178 -0.4178 -0.0580 -0.0580 0.1543 0.1543 1.5994 1.5994 1.7206 1.7206 1.7908 1.7908 1.8768 1.8768 2.8022 2.8022 3.3640 3.3640 3.3748 3.3748 4.5393 4.5393 4.8921 4.8921 4.9993 4.9993 6.6092 6.6092 8.0384 8.0384 8.4888 8.4888 10.2697 10.2697 k = 0.0500 0.0376 0.0000 ( 5585 PWs) bands (ev): -8.2390 -8.2390 -6.9704 -6.9704 -6.9658 -6.9658 -6.8993 -6.8993 -2.1190 -2.1190 -2.0947 -2.0947 -0.9089 -0.9089 -0.5131 -0.5131 -0.4198 -0.4198 -0.0555 -0.0555 0.1440 0.1440 1.6173 1.6173 1.7237 1.7237 1.7969 1.7969 1.8726 1.8726 2.8128 2.8128 3.3694 3.3694 3.3819 3.3819 4.5228 4.5228 4.8748 4.8748 4.9886 4.9886 6.6328 6.6328 8.0498 8.0498 8.4968 8.4968 10.2104 10.2104 k = 0.0667 0.0501 0.0000 ( 5597 PWs) bands (ev): -8.2338 -8.2338 -6.9706 -6.9706 -6.9660 -6.9660 -6.9073 -6.9073 -2.1240 -2.1240 -2.0923 -2.0923 -0.9077 -0.9077 -0.5096 -0.5096 -0.4226 -0.4226 -0.0521 -0.0521 0.1304 0.1304 1.6412 1.6412 1.7278 1.7278 1.8054 1.8054 1.8679 1.8679 2.8274 2.8274 3.3772 3.3772 3.3917 3.3917 4.5001 4.5001 4.8518 4.8518 4.9740 4.9740 6.6645 6.6645 8.0651 8.0651 8.5083 8.5083 10.1343 10.1343 k = 0.0833 0.0627 0.0000 ( 5601 PWs) bands (ev): -8.2271 -8.2271 -6.9709 -6.9709 -6.9662 -6.9662 -6.9174 -6.9174 -2.1292 -2.1292 -2.0904 -2.0904 -0.9063 -0.9063 -0.5055 -0.5055 -0.4261 -0.4261 -0.0480 -0.0480 0.1146 0.1146 1.6695 1.6695 1.7325 1.7325 1.8162 1.8162 1.8638 1.8638 2.8455 2.8455 3.3873 3.3873 3.4039 3.4039 4.4713 4.4713 4.8241 4.8241 4.9554 4.9554 6.7032 6.7032 8.0838 8.0838 8.5233 8.5233 10.0452 10.0452 k = 0.1000 0.0752 0.0000 ( 5601 PWs) bands (ev): -8.2189 -8.2189 -6.9712 -6.9712 -6.9665 -6.9665 -6.9296 -6.9296 -2.1345 -2.1345 -2.0889 -2.0889 -0.9047 -0.9047 -0.5011 -0.5011 -0.4303 -0.4303 -0.0436 -0.0436 0.0979 0.0979 1.6980 1.6980 1.7401 1.7401 1.8290 1.8290 1.8623 1.8623 2.8668 2.8668 3.3995 3.3995 3.4185 3.4185 4.4370 4.4370 4.7927 4.7927 4.9331 4.9331 6.7478 6.7478 8.1050 8.1050 8.5422 8.5422 9.9459 9.9459 k = 0.1167 0.0878 0.0000 ( 5585 PWs) bands (ev): -8.2093 -8.2093 -6.9717 -6.9717 -6.9668 -6.9668 -6.9439 -6.9439 -2.1399 -2.1399 -2.0880 -2.0880 -0.9029 -0.9028 -0.4967 -0.4967 -0.4351 -0.4351 -0.0400 -0.0400 0.0820 0.0820 1.7140 1.7140 1.7602 1.7602 1.8431 1.8431 1.8666 1.8666 2.8909 2.8909 3.4139 3.4139 3.4353 3.4353 4.3977 4.3977 4.7584 4.7584 4.9075 4.9075 6.7971 6.7971 8.1280 8.1280 8.5651 8.5651 9.8391 9.8391 k = 0.1333 0.1003 0.0000 ( 5585 PWs) bands (ev): -8.1983 -8.1983 -6.9723 -6.9723 -6.9672 -6.9672 -6.9600 -6.9600 -2.1453 -2.1453 -2.0875 -2.0875 -0.9009 -0.9009 -0.4930 -0.4930 -0.4403 -0.4403 -0.0388 -0.0387 0.0697 0.0697 1.7137 1.7137 1.7935 1.7935 1.8565 1.8565 1.8809 1.8809 2.9174 2.9174 3.4302 3.4303 3.4541 3.4541 4.3543 4.3543 4.7220 4.7220 4.8787 4.8787 6.8498 6.8498 8.1517 8.1517 8.5921 8.5921 9.7268 9.7268 k = 0.1500 0.1128 0.0000 ( 5601 PWs) bands (ev): -8.1858 -8.1858 -6.9795 -6.9795 -6.9717 -6.9717 -6.9675 -6.9675 -2.1507 -2.1507 -2.0874 -2.0874 -0.8988 -0.8988 -0.4904 -0.4903 -0.4456 -0.4456 -0.0423 -0.0423 0.0642 0.0642 1.7055 1.7055 1.8281 1.8281 1.8708 1.8708 1.9064 1.9064 2.9459 2.9459 3.4484 3.4485 3.4748 3.4748 4.3075 4.3075 4.6839 4.6839 4.8472 4.8472 6.9050 6.9050 8.1753 8.1753 8.6229 8.6229 9.6110 9.6111 k = 0.1667 0.1254 0.0000 ( 5601 PWs) bands (ev): -8.1720 -8.1720 -6.9991 -6.9991 -6.9727 -6.9727 -6.9679 -6.9679 -2.1560 -2.1560 -2.0878 -2.0878 -0.8966 -0.8966 -0.4897 -0.4897 -0.4508 -0.4508 -0.0515 -0.0515 0.0671 0.0671 1.6926 1.6926 1.8583 1.8584 1.8887 1.8887 1.9421 1.9421 2.9760 2.9760 3.4683 3.4683 3.4971 3.4971 4.2585 4.2585 4.6446 4.6446 4.8132 4.8132 6.9615 6.9615 8.1981 8.1981 8.6574 8.6574 9.4933 9.4933 k = 0.1833 0.1379 0.0000 ( 5609 PWs) bands (ev): -8.1567 -8.1567 -7.0209 -7.0209 -6.9732 -6.9732 -6.9684 -6.9684 -2.1611 -2.1611 -2.0886 -2.0886 -0.8943 -0.8943 -0.4916 -0.4916 -0.4554 -0.4554 -0.0650 -0.0650 0.0777 0.0777 1.6767 1.6767 1.8840 1.8840 1.9103 1.9104 1.9859 1.9859 3.0074 3.0074 3.4895 3.4895 3.5208 3.5208 4.2080 4.2080 4.6043 4.6043 4.7772 4.7772 7.0183 7.0183 8.2195 8.2195 8.6945 8.6945 9.3750 9.3750 k = 0.2000 0.1504 0.0000 ( 5609 PWs) bands (ev): -8.1402 -8.1402 -7.0443 -7.0443 -6.9738 -6.9738 -6.9688 -6.9688 -2.1660 -2.1660 -2.0898 -2.0898 -0.8918 -0.8918 -0.4967 -0.4967 -0.4591 -0.4591 -0.0804 -0.0804 0.0942 0.0942 1.6585 1.6585 1.9078 1.9079 1.9344 1.9345 2.0344 2.0344 3.0397 3.0397 3.5119 3.5119 3.5456 3.5456 4.1571 4.1571 4.5636 4.5636 4.7397 4.7397 7.0742 7.0742 8.2394 8.2394 8.7330 8.7330 9.2575 9.2575 k = 0.2167 0.1630 0.0000 ( 5601 PWs) bands (ev): -8.1223 -8.1223 -7.0693 -7.0693 -6.9744 -6.9744 -6.9693 -6.9693 -2.1707 -2.1707 -2.0913 -2.0913 -0.8893 -0.8893 -0.5048 -0.5048 -0.4625 -0.4624 -0.0958 -0.0958 0.1151 0.1151 1.6387 1.6387 1.9319 1.9319 1.9599 1.9599 2.0852 2.0852 3.0725 3.0725 3.5352 3.5352 3.5711 3.5711 4.1066 4.1066 4.5225 4.5225 4.7010 4.7010 7.1282 7.1282 8.2577 8.2577 8.7707 8.7707 9.1422 9.1422 k = 0.2333 0.1755 0.0000 ( 5617 PWs) bands (ev): -8.1032 -8.1032 -7.0957 -7.0957 -6.9750 -6.9750 -6.9698 -6.9698 -2.1752 -2.1752 -2.0930 -2.0930 -0.8866 -0.8865 -0.5152 -0.5152 -0.4658 -0.4658 -0.1103 -0.1103 0.1395 0.1395 1.6177 1.6177 1.9569 1.9569 1.9864 1.9864 2.1367 2.1367 3.1055 3.1055 3.5589 3.5589 3.5970 3.5970 4.0576 4.0576 4.4817 4.4817 4.6617 4.6617 7.1789 7.1789 8.2749 8.2749 8.8043 8.8043 9.0312 9.0313 k = 0.2500 0.1881 0.0000 ( 5593 PWs) bands (ev): -8.0829 -8.0829 -7.1233 -7.1233 -6.9755 -6.9755 -6.9703 -6.9703 -2.1794 -2.1794 -2.0950 -2.0950 -0.8836 -0.8836 -0.5277 -0.5277 -0.4696 -0.4696 -0.1233 -0.1233 0.1668 0.1668 1.5959 1.5959 1.9828 1.9829 2.0137 2.0137 2.1877 2.1877 3.1385 3.1385 3.5828 3.5828 3.6227 3.6227 4.0108 4.0108 4.4413 4.4413 4.6222 4.6222 7.2250 7.2250 8.2918 8.2918 8.8232 8.8232 8.9328 8.9328 k = 0.2667 0.2006 0.0000 ( 5593 PWs) bands (ev): -8.0613 -8.0613 -7.1521 -7.1521 -6.9761 -6.9761 -6.9708 -6.9708 -2.1833 -2.1833 -2.0972 -2.0972 -0.8805 -0.8805 -0.5418 -0.5418 -0.4739 -0.4739 -0.1345 -0.1345 0.1964 0.1964 1.5735 1.5735 2.0096 2.0097 2.0415 2.0415 2.2374 2.2374 3.1710 3.1710 3.6063 3.6063 3.6476 3.6476 3.9671 3.9671 4.4020 4.4020 4.5832 4.5832 7.2650 7.2650 8.3092 8.3092 8.7817 8.7817 8.8657 8.8657 k = 0.2833 0.2131 0.0000 ( 5593 PWs) bands (ev): -8.0387 -8.0387 -7.1820 -7.1820 -6.9767 -6.9767 -6.9713 -6.9713 -2.1868 -2.1868 -2.0996 -2.0996 -0.8771 -0.8771 -0.5573 -0.5573 -0.4785 -0.4785 -0.1440 -0.1440 0.2280 0.2280 1.5507 1.5507 2.0371 2.0371 2.0696 2.0697 2.2849 2.2849 3.2028 3.2028 3.6290 3.6290 3.6710 3.6710 3.9274 3.9274 4.3643 4.3643 4.5452 4.5452 7.2976 7.2976 8.3279 8.3279 8.6924 8.6924 8.7675 8.7675 k = 0.3000 0.2257 0.0000 ( 5593 PWs) bands (ev): -8.0149 -8.0149 -7.2127 -7.2127 -6.9773 -6.9773 -6.9718 -6.9718 -2.1901 -2.1901 -2.1020 -2.1020 -0.8733 -0.8733 -0.5739 -0.5739 -0.4834 -0.4834 -0.1519 -0.1519 0.2610 0.2610 1.5275 1.5275 2.0648 2.0648 2.0978 2.0979 2.3297 2.3297 3.2337 3.2337 3.6505 3.6505 3.6919 3.6919 3.8926 3.8926 4.3289 4.3289 4.5088 4.5088 7.3218 7.3218 8.3474 8.3474 8.6021 8.6021 8.6693 8.6693 k = 0.3167 0.2382 0.0000 ( 5605 PWs) bands (ev): -7.9902 -7.9902 -7.2441 -7.2441 -6.9778 -6.9778 -6.9723 -6.9723 -2.1930 -2.1930 -2.1045 -2.1045 -0.8693 -0.8692 -0.5913 -0.5913 -0.4884 -0.4884 -0.1584 -0.1584 0.2951 0.2951 1.5042 1.5042 2.0926 2.0927 2.1258 2.1258 2.3710 2.3710 3.2632 3.2632 3.6701 3.6701 3.7089 3.7089 3.8638 3.8638 4.2964 4.2964 4.4745 4.4745 7.3370 7.3370 8.3625 8.3625 8.5247 8.5247 8.5758 8.5758 k = 0.3333 0.2507 0.0000 ( 5609 PWs) bands (ev): -7.9646 -7.9646 -7.2761 -7.2761 -6.9783 -6.9783 -6.9727 -6.9727 -2.1957 -2.1957 -2.1070 -2.1070 -0.8647 -0.8647 -0.6091 -0.6091 -0.4933 -0.4933 -0.1636 -0.1636 0.3296 0.3296 1.4809 1.4809 2.1202 2.1202 2.1532 2.1532 2.4086 2.4086 3.2913 3.2913 3.6874 3.6874 3.7203 3.7204 3.8422 3.8422 4.2677 4.2677 4.4430 4.4430 7.3434 7.3434 8.3504 8.3504 8.4808 8.4808 8.4923 8.4923 k = 0.3500 0.2633 0.0000 ( 5609 PWs) bands (ev): -7.9382 -7.9382 -7.3086 -7.3086 -6.9788 -6.9788 -6.9732 -6.9732 -2.1980 -2.1980 -2.1094 -2.1094 -0.8598 -0.8598 -0.6271 -0.6271 -0.4980 -0.4980 -0.1678 -0.1678 0.3642 0.3642 1.4579 1.4579 2.1471 2.1471 2.1796 2.1796 2.4420 2.4420 3.3175 3.3175 3.7018 3.7018 3.7251 3.7251 3.8286 3.8286 4.2434 4.2434 4.4148 4.4148 7.3417 7.3417 8.2974 8.2974 8.4045 8.4045 8.4998 8.4998 k = 0.3667 0.2758 0.0000 ( 5609 PWs) bands (ev): -7.9111 -7.9111 -7.3412 -7.3412 -6.9792 -6.9792 -6.9735 -6.9735 -2.2000 -2.2000 -2.1117 -2.1117 -0.8544 -0.8544 -0.6450 -0.6450 -0.5024 -0.5024 -0.1712 -0.1712 0.3981 0.3981 1.4353 1.4353 2.1729 2.1729 2.2048 2.2048 2.4711 2.4711 3.3417 3.3417 3.7122 3.7123 3.7246 3.7246 3.8218 3.8218 4.2241 4.2241 4.3902 4.3902 7.3335 7.3335 8.2324 8.2324 8.3293 8.3293 8.5362 8.5362 k = 0.3833 0.2884 0.0000 ( 5593 PWs) bands (ev): -7.8835 -7.8835 -7.3738 -7.3738 -6.9796 -6.9796 -6.9739 -6.9739 -2.2017 -2.2017 -2.1139 -2.1139 -0.8484 -0.8484 -0.6625 -0.6625 -0.5064 -0.5064 -0.1738 -0.1738 0.4307 0.4307 1.4135 1.4135 2.1972 2.1972 2.2282 2.2282 2.4957 2.4957 3.3637 3.3637 3.7138 3.7138 3.7263 3.7264 3.8187 3.8187 4.2101 4.2101 4.3694 4.3694 7.3205 7.3205 8.1696 8.1696 8.2611 8.2611 8.5808 8.5808 k = 0.4000 0.3009 0.0000 ( 5597 PWs) bands (ev): -7.8556 -7.8556 -7.4062 -7.4062 -6.9800 -6.9800 -6.9742 -6.9742 -2.2031 -2.2031 -2.1159 -2.1159 -0.8420 -0.8420 -0.6794 -0.6794 -0.5100 -0.5100 -0.1760 -0.1760 0.4614 0.4614 1.3928 1.3928 2.2196 2.2196 2.2495 2.2495 2.5162 2.5162 3.3833 3.3833 3.7083 3.7083 3.7311 3.7311 3.8165 3.8165 4.2011 4.2011 4.3526 4.3526 7.3046 7.3046 8.1126 8.1126 8.2007 8.2007 8.6268 8.6268 k = 0.4167 0.3134 0.0000 ( 5597 PWs) bands (ev): -7.8278 -7.8278 -7.4378 -7.4378 -6.9803 -6.9803 -6.9745 -6.9745 -2.2043 -2.2043 -2.1177 -2.1177 -0.8351 -0.8351 -0.6955 -0.6955 -0.5132 -0.5132 -0.1776 -0.1776 0.4894 0.4894 1.3739 1.3739 2.2395 2.2396 2.2684 2.2684 2.5327 2.5327 3.4002 3.4002 3.7021 3.7021 3.7345 3.7345 3.8139 3.8139 4.1963 4.1963 4.3394 4.3394 7.2878 7.2878 8.0631 8.0631 8.1486 8.1486 8.6681 8.6681 k = 0.4333 0.3260 0.0000 ( 5578 PWs) bands (ev): -7.8007 -7.8007 -7.4681 -7.4681 -6.9805 -6.9805 -6.9747 -6.9747 -2.2053 -2.2053 -2.1192 -2.1192 -0.8279 -0.8279 -0.7104 -0.7104 -0.5158 -0.5158 -0.1789 -0.1789 0.5140 0.5140 1.3571 1.3571 2.2566 2.2567 2.2843 2.2843 2.5455 2.5455 3.4145 3.4145 3.6966 3.6966 3.7363 3.7363 3.8109 3.8109 4.1946 4.1946 4.3295 4.3295 7.2716 7.2716 8.0218 8.0218 8.1053 8.1053 8.6967 8.6967 k = 0.4500 0.3385 0.0000 ( 5578 PWs) bands (ev): -7.7753 -7.7753 -7.4961 -7.4961 -6.9807 -6.9807 -6.9749 -6.9749 -2.2060 -2.2060 -2.1204 -2.1204 -0.8206 -0.8206 -0.7239 -0.7239 -0.5178 -0.5178 -0.1798 -0.1798 0.5342 0.5342 1.3431 1.3431 2.2705 2.2705 2.2971 2.2971 2.5549 2.5549 3.4258 3.4258 3.6921 3.6921 3.7368 3.7368 3.8078 3.8078 4.1949 4.1949 4.3224 4.3224 7.2576 7.2576 7.9892 7.9892 8.0711 8.0711 8.7097 8.7097 k = 0.4667 0.3510 0.0000 ( 5594 PWs) bands (ev): -7.7532 -7.7532 -7.5200 -7.5200 -6.9809 -6.9809 -6.9750 -6.9750 -2.2065 -2.2065 -2.1212 -2.1212 -0.8138 -0.8138 -0.7351 -0.7351 -0.5193 -0.5193 -0.1804 -0.1804 0.5493 0.5493 1.3326 1.3326 2.2806 2.2806 2.3065 2.3065 2.5615 2.5615 3.4340 3.4340 3.6887 3.6887 3.7367 3.7367 3.8053 3.8053 4.1960 4.1960 4.3178 4.3178 7.2467 7.2467 7.9656 7.9656 8.0464 8.0464 8.7128 8.7128 k = 0.4833 0.3636 0.0000 ( 5590 PWs) bands (ev): -7.7373 -7.7373 -7.5370 -7.5370 -6.9810 -6.9810 -6.9751 -6.9751 -2.2068 -2.2068 -2.1218 -2.1218 -0.8085 -0.8085 -0.7431 -0.7431 -0.5202 -0.5202 -0.1808 -0.1808 0.5587 0.5587 1.3260 1.3260 2.2868 2.2868 2.3121 2.3121 2.5653 2.5653 3.4391 3.4391 3.6865 3.6865 3.7364 3.7364 3.8037 3.8037 4.1970 4.1970 4.3151 4.3151 7.2399 7.2399 7.9514 7.9514 8.0315 8.0315 8.7126 8.7126 k = 0.5000 0.3761 0.0000 ( 5598 PWs) bands (ev): -7.7314 -7.7314 -7.5433 -7.5433 -6.9810 -6.9810 -6.9751 -6.9751 -2.2069 -2.2069 -2.1220 -2.1220 -0.8064 -0.8064 -0.7461 -0.7461 -0.5205 -0.5205 -0.1809 -0.1809 0.5618 0.5618 1.3237 1.3237 2.2889 2.2889 2.3141 2.3141 2.5665 2.5665 3.4407 3.4407 3.6858 3.6858 3.7363 3.7363 3.8031 3.8031 4.1975 4.1975 4.3143 4.3143 7.2376 7.2376 7.9466 7.9466 8.0265 8.0265 8.7122 8.7122 k = 0.5000 0.3761 0.0000 ( 5598 PWs) bands (ev): -7.7314 -7.7314 -7.5433 -7.5433 -6.9810 -6.9810 -6.9751 -6.9751 -2.2069 -2.2069 -2.1220 -2.1220 -0.8064 -0.8064 -0.7461 -0.7461 -0.5205 -0.5205 -0.1809 -0.1809 0.5618 0.5618 1.3237 1.3237 2.2889 2.2889 2.3141 2.3141 2.5665 2.5665 3.4407 3.4407 3.6858 3.6858 3.7363 3.7363 3.8031 3.8031 4.1975 4.1975 4.3143 4.3143 7.2376 7.2376 7.9466 7.9466 8.0265 8.0265 8.7122 8.7122 k = 0.4910 0.3880 0.0149 ( 5590 PWs) bands (ev): -7.7310 -7.7307 -7.5430 -7.5429 -6.9817 -6.9814 -6.9756 -6.9755 -2.2082 -2.2053 -2.1267 -2.1176 -0.8138 -0.8005 -0.7608 -0.7283 -0.5246 -0.5151 -0.1906 -0.1695 0.5594 0.5645 1.3175 1.3234 2.2845 2.2941 2.3134 2.3155 2.5631 2.5694 3.4358 3.4420 3.6565 3.6971 3.7342 3.7409 3.7844 3.8313 4.1867 4.2096 4.3124 4.3161 7.2415 7.2419 7.9431 7.9530 8.0277 8.0284 8.7115 8.7244 k = 0.4821 0.4000 0.0298 ( 5582 PWs) bands (ev): -7.7298 -7.7292 -7.5422 -7.5419 -6.9838 -6.9833 -6.9764 -6.9761 -2.2094 -2.2036 -2.1319 -2.1137 -0.8228 -0.7972 -0.7699 -0.7090 -0.5270 -0.5084 -0.1988 -0.1564 0.5571 0.5673 1.3048 1.3164 2.2800 2.2992 2.3135 2.3193 2.5593 2.5716 3.4279 3.4388 3.6216 3.6798 3.7293 3.7439 3.7922 3.8604 4.1777 4.2205 4.3110 4.3196 7.2534 7.2543 7.9421 7.9621 8.0324 8.0335 8.7224 8.7472 k = 0.4731 0.4119 0.0447 ( 5576 PWs) bands (ev): -7.7276 -7.7267 -7.5407 -7.5403 -6.9882 -6.9876 -6.9767 -6.9761 -2.2103 -2.2017 -2.1375 -2.1103 -0.8333 -0.7982 -0.7710 -0.6897 -0.5274 -0.5007 -0.2052 -0.1416 0.5550 0.5702 1.2863 1.3030 2.2742 2.3007 2.3164 2.3275 2.5551 2.5732 3.4171 3.4295 3.5863 3.6449 3.7210 3.7450 3.8161 3.8884 4.1688 4.2256 4.3118 4.3283 7.2732 7.2746 7.9435 7.9736 8.0404 8.0439 8.7445 8.7796 k = 0.4641 0.4238 0.0596 ( 5564 PWs) bands (ev): -7.7244 -7.7232 -7.5387 -7.5381 -6.9949 -6.9942 -6.9765 -6.9757 -2.2110 -2.1997 -2.1433 -2.1074 -0.8448 -0.8013 -0.7663 -0.6713 -0.5255 -0.4918 -0.2099 -0.1251 0.5532 0.5732 1.2626 1.2838 2.2662 2.2975 2.3230 2.3399 2.5509 2.5743 3.4033 3.4122 3.5536 3.6034 3.7116 3.7444 3.8432 3.9150 4.1580 4.2216 4.3169 4.3450 7.3005 7.3022 7.9470 7.9864 8.0528 8.0606 8.7770 8.8201 k = 0.4552 0.4357 0.0746 ( 5562 PWs) bands (ev): -7.7204 -7.7189 -7.5361 -7.5354 -7.0035 -7.0027 -6.9760 -6.9749 -2.2115 -2.1976 -2.1493 -2.1050 -0.8564 -0.8040 -0.7593 -0.6553 -0.5208 -0.4815 -0.2127 -0.1068 0.5516 0.5763 1.2345 1.2595 2.2560 2.2910 2.3320 2.3550 2.5466 2.5748 3.3819 3.3894 3.5246 3.5625 3.7007 3.7412 3.8704 3.9402 4.1437 4.2100 4.3272 4.3683 7.3346 7.3369 7.9529 7.9995 8.0716 8.0840 8.8186 8.8671 k = 0.4462 0.4476 0.0895 ( 5566 PWs) bands (ev): -7.7154 -7.7137 -7.5329 -7.5321 -7.0140 -7.0131 -6.9752 -6.9738 -2.2117 -2.1954 -2.1554 -2.1030 -0.8674 -0.8057 -0.7513 -0.6422 -0.5138 -0.4696 -0.2133 -0.0869 0.5504 0.5796 1.2030 1.2308 2.2437 2.2821 2.3422 2.3717 2.5425 2.5750 3.3458 3.3670 3.4947 3.5312 3.6875 3.7350 3.8965 3.9629 4.1265 4.1946 4.3429 4.3955 7.3749 7.3778 7.9615 8.0125 8.0980 8.1141 8.8676 8.9189 k = 0.4373 0.4595 0.1044 ( 5574 PWs) bands (ev): -7.7097 -7.7076 -7.5293 -7.5284 -7.0262 -7.0251 -6.9741 -6.9725 -2.2117 -2.1931 -2.1615 -2.1015 -0.8773 -0.8063 -0.7427 -0.6325 -0.5053 -0.4560 -0.2113 -0.0655 0.5496 0.5830 1.1689 1.1985 2.2298 2.2709 2.3524 2.3890 2.5387 2.5750 3.3022 3.3384 3.4628 3.5134 3.6715 3.7253 3.9191 3.9809 4.1094 4.1797 4.3629 4.4244 7.4208 7.4243 7.9731 8.0260 8.1324 8.1509 8.9224 8.9735 k = 0.4283 0.4714 0.1193 ( 5580 PWs) bands (ev): -7.7031 -7.7007 -7.5253 -7.5242 -7.0399 -7.0387 -6.9729 -6.9711 -2.2115 -2.1907 -2.1676 -2.1002 -0.8860 -0.8060 -0.7338 -0.6254 -0.4963 -0.4411 -0.2063 -0.0427 0.5493 0.5864 1.1331 1.1635 2.2144 2.2577 2.3616 2.4062 2.5351 2.5752 3.2544 3.3012 3.4361 3.5031 3.6525 3.7119 3.9341 3.9891 4.0985 4.1709 4.3861 4.4539 7.4714 7.4758 7.9881 8.0409 8.1743 8.1939 8.9810 9.0291 k = 0.4193 0.4834 0.1342 ( 5588 PWs) bands (ev): -7.6957 -7.6931 -7.5209 -7.5197 -7.0548 -7.0535 -6.9715 -6.9695 -2.2110 -2.1883 -2.1735 -2.0993 -0.8935 -0.8048 -0.7247 -0.6204 -0.4877 -0.4261 -0.1976 -0.0189 0.5495 0.5899 1.0964 1.1267 2.1978 2.2426 2.3687 2.4225 2.5317 2.5758 3.2048 3.2569 3.4170 3.4967 3.6304 3.6947 3.9355 3.9831 4.1011 4.1734 4.4112 4.4832 7.5261 7.5314 8.0065 8.0581 8.2232 8.2429 9.0407 9.0843 k = 0.4104 0.4953 0.1491 ( 5590 PWs) bands (ev): -7.6877 -7.6848 -7.5163 -7.5150 -7.0709 -7.0694 -6.9699 -6.9677 -2.2103 -2.1859 -2.1792 -2.0987 -0.8997 -0.8029 -0.7155 -0.6165 -0.4797 -0.4123 -0.1849 0.0055 0.5505 0.5935 1.0597 1.0888 2.1802 2.2260 2.3729 2.4370 2.5283 2.5771 3.1547 3.2088 3.4040 3.4929 3.6052 3.6740 3.9207 3.9644 4.1179 4.1887 4.4375 4.5118 7.5841 7.5905 8.0284 8.0781 8.2785 8.2974 9.0978 9.1382 k = 0.4014 0.5072 0.1640 ( 5596 PWs) bands (ev): -7.6792 -7.6760 -7.5115 -7.5101 -7.0878 -7.0862 -6.9682 -6.9658 -2.2096 -2.1844 -2.1835 -2.0982 -0.9046 -0.8003 -0.7065 -0.6131 -0.4726 -0.4009 -0.1683 0.0300 0.5522 0.5969 1.0240 1.0507 2.1619 2.2080 2.3737 2.4485 2.5249 2.5793 3.1052 3.1600 3.3957 3.4911 3.5775 3.6501 3.8940 3.9374 4.1443 4.2134 4.4641 4.5394 7.6446 7.6522 8.0538 8.1011 8.3397 8.3570 9.1483 9.1895 k = 0.3924 0.5191 0.1789 ( 5596 PWs) bands (ev): -7.6701 -7.6667 -7.5066 -7.5051 -7.1052 -7.1035 -6.9663 -6.9637 -2.2089 -2.1891 -2.1810 -2.0978 -0.9082 -0.7971 -0.6977 -0.6099 -0.4662 -0.3925 -0.1483 0.0540 0.5547 0.6000 0.9900 1.0135 2.1431 2.1889 2.3710 2.4555 2.5220 2.5819 3.0573 3.1127 3.3911 3.4903 3.5488 3.6237 3.8608 3.9053 4.1757 4.2437 4.4905 4.5658 7.7070 7.7159 8.0827 8.1274 8.4060 8.4212 9.1907 9.2361 k = 0.3835 0.5310 0.1938 ( 5598 PWs) bands (ev): -7.6608 -7.6571 -7.5018 -7.5002 -7.1228 -7.1211 -6.9643 -6.9615 -2.2085 -2.1927 -2.1785 -2.0975 -0.9108 -0.7933 -0.6893 -0.6065 -0.4604 -0.3870 -0.1260 0.0767 0.5582 0.6023 0.9585 0.9786 2.1240 2.1689 2.3648 2.4561 2.5202 2.5843 3.0118 3.0682 3.3894 3.4866 3.5234 3.5957 3.8243 3.8702 4.2096 4.2770 4.5161 4.5908 7.7705 7.7809 8.1149 8.1570 8.4764 8.4891 9.2263 9.2770 k = 0.3745 0.5429 0.2087 ( 5597 PWs) bands (ev): -7.6515 -7.6475 -7.4972 -7.4954 -7.1402 -7.1384 -6.9622 -6.9592 -2.2090 -2.1950 -2.1760 -2.0973 -0.9122 -0.7891 -0.6813 -0.6027 -0.4553 -0.3843 -0.1028 0.0974 0.5622 0.6035 0.9295 0.9484 2.1049 2.1483 2.3554 2.4500 2.5193 2.5859 2.9693 3.0278 3.3894 3.4697 3.5132 3.5672 3.7865 3.8338 4.2441 4.3116 4.5405 4.6144 7.8345 7.8466 8.1503 8.1899 8.5495 8.5602 9.2568 9.3122 k = 0.3656 0.5549 0.2237 ( 5599 PWs) bands (ev): -7.6424 -7.6382 -7.4927 -7.4908 -7.1569 -7.1551 -6.9599 -6.9568 -2.2105 -2.1954 -2.1734 -2.0971 -0.9126 -0.7845 -0.6741 -0.5982 -0.4508 -0.3837 -0.0801 0.1151 0.5664 0.6029 0.9028 0.9260 2.0858 2.1272 2.3428 2.4378 2.5179 2.5862 2.9305 2.9917 3.3875 3.4464 3.5139 3.5399 3.7490 3.7971 4.2783 4.3462 4.5635 4.6363 7.8983 7.9122 8.1888 8.2260 8.6236 8.6337 9.2834 9.3417 k = 0.3566 0.5668 0.2386 ( 5603 PWs) bands (ev): -7.6341 -7.6296 -7.4885 -7.4864 -7.1725 -7.1707 -6.9575 -6.9542 -2.2127 -2.1946 -2.1708 -2.0969 -0.9119 -0.7795 -0.6675 -0.5930 -0.4470 -0.3850 -0.0591 0.1290 0.5695 0.6002 0.8798 0.9130 2.0668 2.1057 2.3273 2.4209 2.5147 2.5851 2.8955 2.9598 3.3744 3.4348 3.5057 3.5254 3.7140 3.7611 4.3110 4.3797 4.5847 4.6566 7.9614 7.9771 8.2303 8.2651 8.6965 8.7086 9.3071 9.3659 k = 0.3476 0.5787 0.2535 ( 5607 PWs) bands (ev): -7.6271 -7.6224 -7.4844 -7.4819 -7.1863 -7.1846 -6.9550 -6.9516 -2.2151 -2.1929 -2.1680 -2.0966 -0.9103 -0.7744 -0.6617 -0.5871 -0.4438 -0.3877 -0.0409 0.1386 0.5693 0.5959 0.8631 0.9095 2.0481 2.0837 2.3089 2.4002 2.5093 2.5827 2.8643 2.9315 3.3484 3.4386 3.4831 3.5253 3.6848 3.7271 4.3415 4.4113 4.6040 4.6753 8.0231 8.0406 8.2747 8.3073 8.7667 8.7829 9.3287 9.3858 k = 0.3387 0.5906 0.2684 ( 5601 PWs) bands (ev): -7.6223 -7.6175 -7.4799 -7.4771 -7.1980 -7.1964 -6.9525 -6.9490 -2.2172 -2.1908 -2.1651 -2.0963 -0.9079 -0.7691 -0.6566 -0.5806 -0.4414 -0.3915 -0.0263 0.1433 0.5637 0.5907 0.8554 0.9151 2.0296 2.0614 2.2880 2.3767 2.5023 2.5795 2.8363 2.9055 3.3181 3.4457 3.4655 3.5200 3.6666 3.6964 4.3691 4.4398 4.6214 4.6921 8.0828 8.1022 8.3218 8.3523 8.8326 8.8541 9.3491 9.4027 k = 0.3297 0.6025 0.2833 ( 5601 PWs) bands (ev): -7.6205 -7.6157 -7.4746 -7.4714 -7.2071 -7.2057 -6.9498 -6.9462 -2.2189 -2.1885 -2.1620 -2.0960 -0.9045 -0.7638 -0.6520 -0.5735 -0.4399 -0.3961 -0.0157 0.1429 0.5529 0.5838 0.8579 0.9290 2.0112 2.0386 2.2649 2.3512 2.4946 2.5761 2.8103 2.8807 3.2874 3.4335 3.4734 3.5047 3.6598 3.6737 4.3932 4.4643 4.6369 4.7071 8.1398 8.1609 8.3718 8.4002 8.8927 8.9196 9.3690 9.4181 k = 0.3207 0.6144 0.2982 ( 5599 PWs) bands (ev): -7.6226 -7.6179 -7.4678 -7.4642 -7.2133 -7.2122 -6.9471 -6.9434 -2.2201 -2.1861 -2.1587 -2.0957 -0.9004 -0.7587 -0.6479 -0.5661 -0.4397 -0.4010 -0.0092 0.1377 0.5391 0.5741 0.8708 0.9499 1.9928 2.0152 2.2403 2.3245 2.4872 2.5732 2.7854 2.8560 3.2572 3.4140 3.4826 3.4921 3.6452 3.6784 4.4129 4.4838 4.6507 4.7203 8.1935 8.2162 8.4247 8.4509 8.9452 8.9773 9.3886 9.4336 k = 0.3207 0.6144 0.2982 ( 5599 PWs) bands (ev): -7.6226 -7.6179 -7.4678 -7.4642 -7.2133 -7.2122 -6.9471 -6.9434 -2.2201 -2.1861 -2.1587 -2.0957 -0.9004 -0.7587 -0.6479 -0.5661 -0.4397 -0.4010 -0.0092 0.1377 0.5391 0.5741 0.8708 0.9499 1.9928 2.0152 2.2403 2.3245 2.4872 2.5732 2.7854 2.8560 3.2572 3.4140 3.4826 3.4921 3.6452 3.6784 4.4129 4.4838 4.6507 4.7203 8.1935 8.2162 8.4247 8.4509 8.9452 8.9773 9.3886 9.4336 k = 0.3019 0.6089 0.3051 ( 5593 PWs) bands (ev): -7.6268 -7.6223 -7.4627 -7.4590 -7.2144 -7.2134 -6.9460 -6.9423 -2.2204 -2.1850 -2.1569 -2.0955 -0.8980 -0.7563 -0.6462 -0.5623 -0.4400 -0.4033 -0.0083 0.1323 0.5325 0.5681 0.8818 0.9627 1.9816 2.0009 2.2275 2.3100 2.4868 2.5719 2.7769 2.8458 3.2413 3.3971 3.4788 3.5022 3.6424 3.6860 4.4174 4.4860 4.6599 4.7271 8.2169 8.2403 8.4534 8.4788 8.9678 9.0017 9.3928 9.4363 k = 0.2830 0.6034 0.3121 ( 5594 PWs) bands (ev): -7.6344 -7.6303 -7.4559 -7.4523 -7.2127 -7.2118 -6.9453 -6.9416 -2.2204 -2.1842 -2.1546 -2.0952 -0.8952 -0.7540 -0.6449 -0.5581 -0.4407 -0.4055 -0.0100 0.1232 0.5276 0.5618 0.8973 0.9784 1.9653 1.9808 2.2125 2.2914 2.4915 2.5705 2.7740 2.8382 3.2235 3.3732 3.4833 3.5128 3.6474 3.6939 4.4152 4.4787 4.6732 4.7354 8.2393 8.2633 8.4891 8.5139 8.9904 9.0257 9.3893 9.4321 k = 0.2641 0.5978 0.3190 ( 5590 PWs) bands (ev): -7.6440 -7.6402 -7.4493 -7.4456 -7.2082 -7.2074 -6.9450 -6.9412 -2.2200 -2.1837 -2.1518 -2.0948 -0.8919 -0.7519 -0.6439 -0.5536 -0.4418 -0.4075 -0.0145 0.1104 0.5258 0.5573 0.9153 0.9957 1.9444 1.9565 2.1945 2.2689 2.5002 2.5695 2.7752 2.8331 3.2066 3.3502 3.4887 3.5244 3.6584 3.7017 4.4074 4.4647 4.6875 4.7435 8.2610 8.2854 8.5317 8.5560 9.0133 9.0494 9.3811 9.4243 k = 0.2453 0.5923 0.3259 ( 5598 PWs) bands (ev): -7.6546 -7.6511 -7.4438 -7.4402 -7.2010 -7.2001 -6.9452 -6.9414 -2.2194 -2.1834 -2.1486 -2.0943 -0.8880 -0.7500 -0.6430 -0.5492 -0.4432 -0.4094 -0.0216 0.0941 0.5275 0.5555 0.9347 1.0137 1.9192 1.9302 2.1730 2.2427 2.5114 2.5699 2.7787 2.8313 3.1933 3.3309 3.4919 3.5370 3.6738 3.7099 4.3951 4.4463 4.7002 4.7502 8.2822 8.3067 8.5807 8.6047 9.0365 9.0729 9.3712 9.4157 k = 0.2264 0.5868 0.3328 ( 5594 PWs) bands (ev): -7.6654 -7.6623 -7.4398 -7.4363 -7.1911 -7.1902 -6.9459 -6.9422 -2.2185 -2.1835 -2.1449 -2.0938 -0.8837 -0.7484 -0.6422 -0.5450 -0.4449 -0.4111 -0.0310 0.0750 0.5329 0.5572 0.9544 1.0317 1.8905 1.9037 2.1475 2.2131 2.5235 2.5725 2.7828 2.8332 3.1847 3.3158 3.4925 3.5495 3.6923 3.7197 4.3792 4.4248 4.7098 4.7543 8.3032 8.3272 8.6359 8.6595 9.0601 9.0963 9.3620 9.4083 k = 0.2075 0.5812 0.3397 ( 5602 PWs) bands (ev): -7.6761 -7.6733 -7.4374 -7.4342 -7.1790 -7.1780 -6.9472 -6.9435 -2.2173 -2.1838 -2.1410 -2.0934 -0.8787 -0.7473 -0.6412 -0.5415 -0.4468 -0.4126 -0.0422 0.0540 0.5415 0.5622 0.9739 1.0493 1.8602 1.8777 2.1180 2.1808 2.5352 2.5777 2.7864 2.8391 3.1813 3.3048 3.4914 3.5604 3.7125 3.7325 4.3605 4.4012 4.7156 4.7553 8.3239 8.3470 8.6966 8.7199 9.0837 9.1193 9.3550 9.4037 k = 0.1887 0.5757 0.3467 ( 5600 PWs) bands (ev): -7.6864 -7.6838 -7.4365 -7.4335 -7.1653 -7.1642 -6.9491 -6.9455 -2.2160 -2.1844 -2.1369 -2.0929 -0.8732 -0.7467 -0.6400 -0.5389 -0.4485 -0.4140 -0.0546 0.0320 0.5525 0.5704 0.9928 1.0659 1.8298 1.8524 2.0851 2.1468 2.5453 2.5849 2.7903 2.8483 3.1826 3.2969 3.4898 3.5689 3.7334 3.7498 4.3397 4.3761 4.7174 4.7527 8.3443 8.3662 8.7622 8.7851 9.1068 9.1413 9.3516 9.4030 k = 0.1698 0.5702 0.3536 ( 5600 PWs) bands (ev): -7.6959 -7.6936 -7.4366 -7.4339 -7.1504 -7.1491 -6.9517 -6.9481 -2.2145 -2.1851 -2.1327 -2.0926 -0.8671 -0.7469 -0.6384 -0.5377 -0.4498 -0.4153 -0.0674 0.0098 0.5655 0.5812 1.0107 1.0812 1.8005 1.8284 2.0500 2.1118 2.5538 2.5928 2.7958 2.8598 3.1873 3.2908 3.4890 3.5747 3.7548 3.7713 4.3172 4.3498 4.7151 4.7467 8.3643 8.3845 8.8319 8.8543 9.1288 9.1615 9.3530 9.4073 k = 0.1509 0.5646 0.3605 ( 5606 PWs) bands (ev): -7.7047 -7.7027 -7.4375 -7.4350 -7.1349 -7.1335 -6.9551 -6.9515 -2.2128 -2.1860 -2.1284 -2.0924 -0.8605 -0.7480 -0.6362 -0.5381 -0.4505 -0.4167 -0.0802 -0.0120 0.5796 0.5939 1.0277 1.0948 1.7730 1.8061 2.0139 2.0766 2.5609 2.5996 2.8042 2.8728 3.1940 3.2850 3.4906 3.5786 3.7772 3.7951 4.2938 4.3228 4.7093 4.7374 8.3836 8.4018 8.9046 8.9264 9.1489 9.1790 9.3601 9.4172 k = 0.1321 0.5591 0.3674 ( 5598 PWs) bands (ev): -7.7126 -7.7109 -7.4389 -7.4367 -7.1191 -7.1175 -6.9592 -6.9557 -2.2110 -2.1870 -2.1242 -2.0924 -0.8533 -0.7501 -0.6332 -0.5402 -0.4503 -0.4181 -0.0921 -0.0328 0.5943 0.6076 1.0434 1.1065 1.7481 1.7856 1.9787 2.0421 2.5668 2.6041 2.8162 2.8866 3.2008 3.2780 3.4957 3.5816 3.8007 3.8195 4.2699 4.2957 4.7006 4.7254 8.4019 8.4180 8.9784 8.9996 9.1670 9.1933 9.3734 9.4330 k = 0.1132 0.5536 0.3743 ( 5594 PWs) bands (ev): -7.7196 -7.7181 -7.4405 -7.4386 -7.1035 -7.1018 -6.9640 -6.9607 -2.2091 -2.1882 -2.1200 -2.0926 -0.8456 -0.7534 -0.6294 -0.5441 -0.4493 -0.4197 -0.1028 -0.0520 0.6089 0.6216 1.0581 1.1160 1.7262 1.7668 1.9460 2.0089 2.5717 2.6060 2.8318 2.9007 3.2062 3.2691 3.5048 3.5846 3.8247 3.8434 4.2464 4.2691 4.6898 4.7116 8.4188 8.4327 9.0507 9.0712 9.1839 9.2052 9.3927 9.4544 k = 0.0943 0.5481 0.3813 ( 5592 PWs) bands (ev): -7.7255 -7.7243 -7.4421 -7.4405 -7.0883 -7.0864 -6.9697 -6.9664 -2.2072 -2.1895 -2.1160 -2.0931 -0.8374 -0.7577 -0.6247 -0.5496 -0.4475 -0.4214 -0.1117 -0.0695 0.6230 0.6348 1.0716 1.1231 1.7078 1.7494 1.9177 1.9779 2.5757 2.6057 2.8500 2.9143 3.2091 3.2584 3.5176 3.5881 3.8481 3.8657 4.2239 4.2436 4.6780 4.6967 8.4341 8.4456 9.1156 9.1351 9.2033 9.2182 9.4175 9.4806 k = 0.0755 0.5425 0.3882 ( 5591 PWs) bands (ev): -7.7304 -7.7294 -7.4435 -7.4422 -7.0738 -7.0718 -6.9760 -6.9729 -2.2052 -2.1909 -2.1123 -2.0938 -0.8289 -0.7632 -0.6191 -0.5563 -0.4451 -0.4234 -0.1186 -0.0848 0.6360 0.6465 1.0840 1.1278 1.6936 1.7331 1.8952 1.9496 2.5792 2.6037 2.8697 2.9264 3.2095 3.2466 3.5329 3.5919 3.8698 3.8855 4.2037 4.2203 4.6663 4.6818 8.4473 8.4564 9.1605 9.1776 9.2319 9.2461 9.4474 9.5103 k = 0.0566 0.5370 0.3951 ( 5592 PWs) bands (ev): -7.7342 -7.7335 -7.4447 -7.4438 -7.0603 -7.0583 -6.9829 -6.9800 -2.2033 -2.1925 -2.1088 -2.0949 -0.8201 -0.7696 -0.6127 -0.5639 -0.4423 -0.4256 -0.1232 -0.0978 0.6473 0.6560 1.0953 1.1299 1.6838 1.7178 1.8797 1.9247 2.5822 2.6008 2.8897 2.9359 3.2080 3.2347 3.5493 3.5950 3.8887 3.9018 4.1866 4.1999 4.6560 4.6680 8.4581 8.4649 9.1805 9.1940 9.2714 9.2887 9.4827 9.5411 k = 0.0377 0.5315 0.4020 ( 5600 PWs) bands (ev): -7.7369 -7.7364 -7.4456 -7.4449 -7.0483 -7.0464 -6.9899 -6.9874 -2.2013 -2.1941 -2.1056 -2.0963 -0.8111 -0.7769 -0.6054 -0.5722 -0.4394 -0.4280 -0.1254 -0.1085 0.6564 0.6626 1.1055 1.1294 1.6788 1.7037 1.8716 1.9037 2.5850 2.5975 2.9083 2.9412 3.2063 3.2238 3.5650 3.5962 3.9039 3.9134 4.1741 4.1836 4.6483 4.6566 8.4664 8.4709 9.1899 9.1988 9.3089 9.3235 9.5217 9.5682 k = 0.0189 0.5259 0.4090 ( 5603 PWs) bands (ev): -7.7385 -7.7382 -7.4461 -7.4457 -7.0388 -7.0375 -6.9958 -6.9941 -2.1994 -2.1958 -2.1027 -2.0981 -0.8021 -0.7848 -0.5976 -0.5808 -0.4364 -0.4306 -0.1251 -0.1166 0.6627 0.6660 1.1142 1.1265 1.6787 1.6919 1.8706 1.8873 2.5879 2.5941 2.9240 2.9413 3.2061 3.2149 3.5784 3.5943 3.9146 3.9196 4.1672 4.1722 4.6441 4.6483 8.4718 8.4741 9.1952 9.1996 9.3347 9.3429 9.5577 9.5839 k = 0.0000 0.5204 0.4159 ( 5616 PWs) bands (ev): -7.7389 -7.7389 -7.4461 -7.4461 -7.0344 -7.0344 -6.9977 -6.9977 -2.1976 -2.1976 -2.1002 -2.1002 -0.7933 -0.7933 -0.5893 -0.5893 -0.4334 -0.4334 -0.1221 -0.1221 0.6660 0.6660 1.1213 1.1213 1.6832 1.6832 1.8761 1.8761 2.5909 2.5909 2.9354 2.9354 3.2089 3.2089 3.5884 3.5884 3.9200 3.9200 4.1666 4.1666 4.6440 4.6440 8.4744 8.4744 9.1983 9.1983 9.3463 9.3463 9.5808 9.5808 k = 0.0000 0.5204 0.4159 ( 5616 PWs) bands (ev): -7.7389 -7.7389 -7.4461 -7.4461 -7.0344 -7.0344 -6.9977 -6.9977 -2.1976 -2.1976 -2.1002 -2.1002 -0.7933 -0.7933 -0.5893 -0.5893 -0.4334 -0.4334 -0.1221 -0.1221 0.6660 0.6660 1.1213 1.1213 1.6832 1.6832 1.8761 1.8761 2.5909 2.5909 2.9354 2.9354 3.2089 3.2089 3.5884 3.5884 3.9200 3.9200 4.1666 4.1666 4.6440 4.6440 8.4744 8.4744 9.1983 9.1983 9.3463 9.3463 9.5808 9.5808 k = 0.0089 0.5085 0.4307 ( 5614 PWs) bands (ev): -7.7386 -7.7383 -7.4459 -7.4458 -7.0350 -7.0348 -6.9981 -6.9978 -2.1986 -2.1962 -2.1017 -2.0986 -0.7976 -0.7883 -0.5940 -0.5841 -0.4374 -0.4296 -0.1282 -0.1190 0.6597 0.6643 1.1112 1.1246 1.6788 1.6934 1.8741 1.8838 2.5863 2.5933 2.9318 2.9408 3.2046 3.2192 3.5864 3.5949 3.9170 3.9254 4.1656 4.1698 4.6420 4.6453 8.4694 8.4715 9.1930 9.1969 9.3342 9.3488 9.5763 9.5912 k = 0.0179 0.4967 0.4456 ( 5614 PWs) bands (ev): -7.7373 -7.7368 -7.4451 -7.4449 -7.0367 -7.0363 -6.9988 -6.9983 -2.1994 -2.1946 -2.1031 -2.0968 -0.8011 -0.7826 -0.5982 -0.5786 -0.4414 -0.4259 -0.1369 -0.1187 0.6455 0.6546 1.0951 1.1206 1.6802 1.7085 1.8779 1.8969 2.5795 2.5937 2.9309 2.9477 3.2070 3.2346 3.5889 3.6058 3.9164 3.9332 4.1668 4.1753 4.6391 4.6458 8.4564 8.4607 9.1817 9.1889 9.3149 9.3397 9.5797 9.6056 k = 0.0268 0.4848 0.4604 ( 5614 PWs) bands (ev): -7.7351 -7.7344 -7.4438 -7.4434 -7.0395 -7.0389 -6.9998 -6.9991 -2.1998 -2.1926 -2.1043 -2.0950 -0.8039 -0.7762 -0.6019 -0.5726 -0.4456 -0.4223 -0.1480 -0.1213 0.6241 0.6375 1.0738 1.1090 1.6869 1.7271 1.8876 1.9152 2.5710 2.5924 2.9339 2.9563 3.2159 3.2537 3.5954 3.6205 3.9180 3.9433 4.1704 4.1832 4.6355 4.6456 8.4359 8.4422 9.1652 9.1756 9.2902 9.3195 9.5917 9.6235 k = 0.0357 0.4729 0.4753 ( 5616 PWs) bands (ev): -7.7319 -7.7310 -7.4420 -7.4414 -7.0433 -7.0425 -7.0013 -7.0004 -2.1998 -2.1905 -2.1053 -2.0932 -0.8058 -0.7693 -0.6050 -0.5662 -0.4500 -0.4189 -0.1613 -0.1266 0.5964 0.6139 1.0478 1.0901 1.6974 1.7477 1.9030 1.9380 2.5613 2.5901 2.9417 2.9675 3.2305 3.2756 3.6055 3.6385 3.9218 3.9555 4.1764 4.1936 4.6309 4.6445 8.4079 8.4164 9.1438 9.1581 9.2623 9.2919 9.6106 9.6445 k = 0.0446 0.4611 0.4901 ( 5610 PWs) bands (ev): -7.7279 -7.7267 -7.4396 -7.4389 -7.0480 -7.0470 -7.0032 -7.0021 -2.1995 -2.1881 -2.1062 -2.0913 -0.8070 -0.7617 -0.6076 -0.5595 -0.4544 -0.4156 -0.1761 -0.1344 0.5635 0.5850 1.0177 1.0644 1.7100 1.7687 1.9240 1.9647 2.5518 2.5879 2.9547 2.9823 3.2494 3.2993 3.6182 3.6592 3.9275 3.9694 4.1851 4.2067 4.6255 4.6427 8.3732 8.3837 9.1178 9.1371 9.2336 9.2615 9.6338 9.6679 k = 0.0536 0.4492 0.5050 ( 5604 PWs) bands (ev): -7.7230 -7.7216 -7.4367 -7.4359 -7.0537 -7.0526 -7.0055 -7.0042 -2.1988 -2.1855 -2.1069 -2.0894 -0.8073 -0.7536 -0.6095 -0.5526 -0.4589 -0.4125 -0.1921 -0.1444 0.5265 0.5517 0.9837 1.0328 1.7225 1.7882 1.9502 1.9949 2.5437 2.5871 2.9731 3.0014 3.2712 3.3242 3.6329 3.6817 3.9350 3.9846 4.1967 4.2226 4.6192 4.6401 8.3321 8.3448 9.0873 9.1124 9.2065 9.2324 9.6595 9.6931 k = 0.0625 0.4373 0.5198 ( 5602 PWs) bands (ev): -7.7171 -7.7155 -7.4333 -7.4324 -7.0603 -7.0590 -7.0083 -7.0067 -2.1978 -2.1827 -2.1074 -2.0876 -0.8068 -0.7451 -0.6107 -0.5455 -0.4634 -0.4097 -0.2088 -0.1563 0.4864 0.5151 0.9463 0.9961 1.7329 1.8043 1.9812 2.0280 2.5390 2.5889 2.9967 3.0253 3.2947 3.3499 3.6488 3.7055 3.9441 4.0007 4.2112 4.2414 4.6119 4.6367 8.2856 8.3003 9.0534 9.0838 9.1825 9.2070 9.6861 9.7193 k = 0.0714 0.4254 0.5347 ( 5602 PWs) bands (ev): -7.7105 -7.7086 -7.4295 -7.4285 -7.0677 -7.0663 -7.0114 -7.0097 -2.1964 -2.1798 -2.1077 -2.0859 -0.8054 -0.7364 -0.6112 -0.5387 -0.4675 -0.4070 -0.2255 -0.1696 0.4442 0.4762 0.9057 0.9550 1.7397 1.8153 2.0166 2.0640 2.5389 2.5945 3.0252 3.0541 3.3187 3.3758 3.6655 3.7299 3.9549 4.0173 4.2285 4.2629 4.6038 4.6325 8.2343 8.2511 9.0179 9.0520 9.1621 9.1855 9.7129 9.7459 k = 0.0804 0.4136 0.5495 ( 5602 PWs) bands (ev): -7.7030 -7.7009 -7.4253 -7.4242 -7.0760 -7.0744 -7.0150 -7.0130 -2.1946 -2.1768 -2.1078 -2.0843 -0.8033 -0.7275 -0.6108 -0.5325 -0.4709 -0.4047 -0.2418 -0.1841 0.4006 0.4359 0.8626 0.9103 1.7416 1.8195 2.0561 2.1029 2.5447 2.6046 3.0581 3.0875 3.3424 3.4015 3.6825 3.7542 3.9671 4.0343 4.2485 4.2868 4.5947 4.6275 8.1792 8.1980 8.9823 9.0188 9.1447 9.1671 9.7393 9.7726 k = 0.0893 0.4017 0.5644 ( 5598 PWs) bands (ev): -7.6946 -7.6924 -7.4207 -7.4196 -7.0850 -7.0833 -7.0190 -7.0168 -2.1925 -2.1737 -2.1078 -2.0828 -0.8003 -0.7187 -0.6094 -0.5278 -0.4727 -0.4028 -0.2571 -0.1993 0.3565 0.3948 0.8171 0.8627 1.7381 1.8163 2.0992 2.1444 2.5565 2.6195 3.0950 3.1252 3.3651 3.4265 3.6997 3.7781 3.9809 4.0515 4.2705 4.3128 4.5848 4.6216 8.1209 8.1416 8.9482 8.9859 9.1293 9.1506 9.7652 9.7993 k = 0.0982 0.3898 0.5793 ( 5596 PWs) bands (ev): -7.6855 -7.6831 -7.4158 -7.4146 -7.0946 -7.0928 -7.0233 -7.0209 -2.1901 -2.1705 -2.1077 -2.0816 -0.7966 -0.7101 -0.6069 -0.5258 -0.4718 -0.4013 -0.2709 -0.2148 0.3123 0.3535 0.7699 0.8128 1.7294 1.8060 2.1453 2.1884 2.5742 2.6388 3.1349 3.1666 3.3866 3.4504 3.7168 3.8013 3.9962 4.0691 4.2940 4.3400 4.5744 4.6149 8.0604 8.0828 8.9164 8.9546 9.1152 9.1351 9.7903 9.8261 k = 0.1071 0.3780 0.5941 ( 5604 PWs) bands (ev): -7.6757 -7.6731 -7.4107 -7.4094 -7.1049 -7.1029 -7.0280 -7.0255 -2.1874 -2.1672 -2.1074 -2.0806 -0.7921 -0.7022 -0.6032 -0.5268 -0.4675 -0.4003 -0.2828 -0.2303 0.2687 0.3126 0.7212 0.7612 1.7160 1.7896 2.1938 2.2343 2.5969 2.6622 3.1766 3.2110 3.4070 3.4731 3.7338 3.8235 4.0128 4.0873 4.3178 4.3679 4.5637 4.6075 7.9983 8.0223 8.8877 8.9256 9.1017 9.1201 9.8144 9.8533 k = 0.1161 0.3661 0.6090 ( 5594 PWs) bands (ev): -7.6652 -7.6624 -7.4054 -7.4041 -7.1156 -7.1136 -7.0331 -7.0303 -2.1843 -2.1640 -2.1071 -2.0799 -0.7871 -0.6950 -0.5983 -0.5303 -0.4604 -0.3998 -0.2925 -0.2454 0.2261 0.2724 0.6715 0.7084 1.6987 1.7682 2.2438 2.2816 2.6239 2.6891 3.2183 3.2571 3.4269 3.4949 3.7506 3.8449 4.0305 4.1063 4.3409 4.3955 4.5532 4.5996 7.9355 7.9607 8.8623 8.8993 9.0886 9.1054 9.8363 9.8810 k = 0.1250 0.3542 0.6238 ( 5596 PWs) bands (ev): -7.6540 -7.6511 -7.4000 -7.3987 -7.1268 -7.1247 -7.0384 -7.0354 -2.1810 -2.1606 -2.1067 -2.0794 -0.7816 -0.6889 -0.5922 -0.5353 -0.4513 -0.3998 -0.3001 -0.2593 0.1848 0.2333 0.6210 0.6548 1.6786 1.7433 2.2946 2.3294 2.6542 2.7190 3.2579 3.3031 3.4477 3.5165 3.7673 3.8655 4.0491 4.1261 4.3618 4.4216 4.5441 4.5914 7.8725 7.8986 8.8402 8.8758 9.0754 9.0911 9.8530 9.9090 k = 0.1339 0.3424 0.6387 ( 5586 PWs) bands (ev): -7.6422 -7.6391 -7.3947 -7.3933 -7.1382 -7.1361 -7.0440 -7.0408 -2.1775 -2.1573 -2.1063 -2.0793 -0.7758 -0.6836 -0.5855 -0.5402 -0.4413 -0.4002 -0.3057 -0.2714 0.1453 0.1956 0.5703 0.6009 1.6565 1.7162 2.3453 2.3771 2.6873 2.7516 3.2927 3.3454 3.4717 3.5390 3.7843 3.8857 4.0683 4.1468 4.3788 4.4450 4.5376 4.5835 7.8101 7.8369 8.8212 8.8549 9.0619 9.0777 9.8595 9.9306 k = 0.1429 0.3305 0.6535 ( 5578 PWs) bands (ev): -7.6298 -7.6267 -7.3896 -7.3882 -7.1498 -7.1477 -7.0499 -7.0464 -2.1738 -2.1540 -2.1059 -2.0795 -0.7701 -0.6792 -0.5792 -0.5438 -0.4315 -0.4006 -0.3098 -0.2802 0.1079 0.1596 0.5194 0.5470 1.6334 1.6879 2.3949 2.4237 2.7226 2.7868 3.3205 3.3799 3.5020 3.5632 3.8023 3.9058 4.0876 4.1683 4.3901 4.4639 4.5356 4.5765 7.7489 7.7760 8.8049 8.8364 9.0480 9.0655 9.8545 9.9250 k = 0.1518 0.3186 0.6684 ( 5584 PWs) bands (ev): -7.6170 -7.6138 -7.3848 -7.3833 -7.1613 -7.1592 -7.0558 -7.0521 -2.1699 -2.1506 -2.1056 -2.0801 -0.7646 -0.6752 -0.5752 -0.5440 -0.4238 -0.4004 -0.3127 -0.2844 0.0729 0.1254 0.4686 0.4935 1.6101 1.6594 2.4426 2.4686 2.7600 2.8243 3.3403 3.4037 3.5389 3.5888 3.8225 3.9265 4.1067 4.1903 4.3945 4.4766 4.5390 4.5717 7.6897 7.7166 8.7909 8.8200 9.0341 9.0548 9.8432 9.9087 k = 0.1607 0.3068 0.6832 ( 5584 PWs) bands (ev): -7.6038 -7.6005 -7.3806 -7.3790 -7.1726 -7.1706 -7.0619 -7.0580 -2.1660 -2.1473 -2.1053 -2.0810 -0.7599 -0.6712 -0.5746 -0.5400 -0.4202 -0.3988 -0.3132 -0.2836 0.0405 0.0933 0.4182 0.4409 1.5871 1.6313 2.4874 2.5111 2.7991 2.8642 3.3526 3.4182 3.5787 3.6135 3.8468 3.9488 4.1254 4.2125 4.3925 4.4824 4.5461 4.5705 7.6330 7.6593 8.7785 8.8054 9.0206 9.0454 9.8308 9.8911 k = 0.1696 0.2949 0.6981 ( 5590 PWs) bands (ev): -7.5904 -7.5870 -7.3772 -7.3753 -7.1834 -7.1815 -7.0679 -7.0638 -2.1620 -2.1439 -2.1051 -2.0822 -0.7564 -0.6665 -0.5760 -0.5335 -0.4211 -0.3971 -0.3090 -0.2783 0.0111 0.0635 0.3682 0.3895 1.5650 1.6044 2.5287 2.5506 2.8397 2.9060 3.3591 3.4260 3.6155 3.6346 3.8770 3.9739 4.1434 4.2346 4.3859 4.4825 4.5532 4.5729 7.5795 7.6049 8.7673 8.7922 9.0082 9.0371 9.8202 9.8749 k = 0.1786 0.2830 0.7129 ( 5592 PWs) bands (ev): -7.5767 -7.5733 -7.3748 -7.3726 -7.1934 -7.1917 -7.0739 -7.0696 -2.1580 -2.1405 -2.1050 -2.0838 -0.7542 -0.6606 -0.5779 -0.5265 -0.4254 -0.3965 -0.2990 -0.2693 -0.0153 0.0360 0.3188 0.3397 1.5444 1.5790 2.5660 2.5867 2.8814 2.9494 3.3613 3.4291 3.6420 3.6526 3.9138 4.0030 4.1604 4.2564 4.3769 4.4785 4.5584 4.5771 7.5298 7.5539 8.7568 8.7802 8.9974 9.0297 9.8126 9.8612 k = 0.1875 0.2711 0.7278 ( 5592 PWs) bands (ev): -7.5630 -7.5597 -7.3737 -7.3711 -7.2024 -7.2010 -7.0797 -7.0751 -2.1541 -2.1371 -2.1050 -2.0857 -0.7534 -0.6533 -0.5797 -0.5204 -0.4321 -0.3967 -0.2840 -0.2570 -0.0384 0.0111 0.2703 0.2920 1.5256 1.5556 2.5989 2.6191 2.9236 2.9936 3.3607 3.4292 3.6515 3.6711 3.9562 4.0364 4.1761 4.2777 4.3670 4.4725 4.5610 4.5800 7.4845 7.5070 8.7471 8.7691 8.9885 9.0229 9.8085 9.8508 k = 0.1964 0.2593 0.7426 ( 5588 PWs) bands (ev): -7.5495 -7.5462 -7.3740 -7.3710 -7.2101 -7.2089 -7.0852 -7.0804 -2.1505 -2.1337 -2.1052 -2.0878 -0.7537 -0.6447 -0.5810 -0.5160 -0.4402 -0.3970 -0.2652 -0.2417 -0.0580 -0.0111 0.2229 0.2467 1.5088 1.5346 2.6274 2.6474 2.9652 3.0374 3.3585 3.4272 3.6519 3.6823 4.0022 4.0730 4.1904 4.2982 4.3570 4.4661 4.5608 4.5798 7.4442 7.4647 8.7382 8.7587 8.9816 9.0164 9.8079 9.8438 k = 0.2054 0.2474 0.7575 ( 5586 PWs) bands (ev): -7.5364 -7.5333 -7.3759 -7.3723 -7.2163 -7.2154 -7.0902 -7.0852 -2.1472 -2.1302 -2.1055 -2.0902 -0.7549 -0.6349 -0.5819 -0.5141 -0.4485 -0.3970 -0.2439 -0.2239 -0.0741 -0.0305 0.1772 0.2042 1.4945 1.5162 2.6515 2.6716 3.0051 3.0796 3.3558 3.4236 3.6469 3.6853 4.0491 4.1108 4.2031 4.3171 4.3480 4.4607 4.5573 4.5755 7.4093 7.4277 8.7304 8.7490 8.9769 9.0101 9.8104 9.8397 k = 0.2143 0.2355 0.7723 ( 5576 PWs) bands (ev): -7.5240 -7.5212 -7.3790 -7.3749 -7.2211 -7.2204 -7.0946 -7.0895 -2.1443 -2.1266 -2.1060 -2.0928 -0.7564 -0.6244 -0.5825 -0.5152 -0.4556 -0.3969 -0.2212 -0.2044 -0.0865 -0.0469 0.1339 0.1651 1.4828 1.5006 2.6712 2.6916 3.0420 3.1183 3.3541 3.4186 3.6385 3.6819 4.0944 4.1469 4.2143 4.3286 4.3457 4.4574 4.5508 4.5671 7.3805 7.3964 8.7241 8.7401 8.9741 9.0039 9.8150 9.8380 k = 0.2232 0.2237 0.7872 ( 5582 PWs) bands (ev): -7.5129 -7.5106 -7.3829 -7.3784 -7.2245 -7.2240 -7.0983 -7.0930 -2.1420 -2.1231 -2.1066 -2.0953 -0.7580 -0.6137 -0.5827 -0.5193 -0.4608 -0.3967 -0.1988 -0.1841 -0.0950 -0.0603 0.0940 0.1306 1.4738 1.4880 2.6866 2.7073 3.0740 3.1512 3.3548 3.4122 3.6289 3.6748 4.1352 4.1786 4.2240 4.3225 4.3595 4.4574 4.5418 4.5552 7.3578 7.3713 8.7194 8.7322 8.9732 8.9979 9.8207 9.8378 k = 0.2321 0.2118 0.8020 ( 5582 PWs) bands (ev): -7.5038 -7.5021 -7.3869 -7.3820 -7.2266 -7.2263 -7.1010 -7.0956 -2.1402 -2.1198 -2.1075 -2.0976 -0.7593 -0.6039 -0.5827 -0.5253 -0.4640 -0.3964 -0.1793 -0.1643 -0.0997 -0.0704 0.0596 0.1023 1.4676 1.4786 2.6976 2.7186 3.0994 3.1758 3.3594 3.4037 3.6200 3.6666 4.1682 4.2040 4.2323 4.3120 4.3750 4.4612 4.5318 4.5410 7.3417 7.3528 8.7166 8.7257 8.9738 8.9923 9.8264 9.8380 k = 0.2411 0.1999 0.8169 ( 5584 PWs) bands (ev): -7.4976 -7.4966 -7.3899 -7.3848 -7.2278 -7.2276 -7.1027 -7.0973 -2.1391 -2.1170 -2.1086 -2.0992 -0.7601 -0.5966 -0.5822 -0.5311 -0.4655 -0.3963 -0.1665 -0.1478 -0.1010 -0.0767 0.0343 0.0832 1.4640 1.4727 2.7042 2.7254 3.1159 3.1906 3.3682 3.3931 3.6139 3.6602 4.1887 4.2237 4.2378 4.3015 4.3869 4.4677 4.5234 4.5277 7.3321 7.3415 8.7156 8.7208 8.9755 8.9877 9.8311 9.8378 k = 0.2500 0.1881 0.8317 ( 5576 PWs) bands (ev): -7.4952 -7.4949 -7.3911 -7.3858 -7.2281 -7.2280 -7.1033 -7.0978 -2.1388 -2.1157 -2.1093 -2.0997 -0.7604 -0.5939 -0.5819 -0.5336 -0.4660 -0.3962 -0.1621 -0.1410 -0.1011 -0.0788 0.0246 0.0762 1.4629 1.4706 2.7064 2.7276 3.1217 3.1953 3.3778 3.3831 3.6117 3.6578 4.1952 4.2360 4.2361 4.2963 4.3915 4.4715 4.5196 4.5218 7.3290 7.3377 8.7159 8.7186 8.9766 8.9855 9.8332 9.8374 k = 0.2500 0.1881 0.8317 ( 5576 PWs) bands (ev): -7.4952 -7.4949 -7.3911 -7.3858 -7.2281 -7.2280 -7.1033 -7.0978 -2.1388 -2.1157 -2.1093 -2.0997 -0.7604 -0.5939 -0.5819 -0.5336 -0.4660 -0.3962 -0.1621 -0.1410 -0.1011 -0.0788 0.0246 0.0762 1.4629 1.4706 2.7064 2.7276 3.1217 3.1953 3.3778 3.3831 3.6117 3.6578 4.1952 4.2360 4.2361 4.2963 4.3915 4.4715 4.5196 4.5218 7.3290 7.3377 8.7159 8.7186 8.9766 8.9855 9.8332 9.8374 k = 0.2632 0.1980 0.8194 ( 5582 PWs) bands (ev): -7.4960 -7.4954 -7.3907 -7.3855 -7.2280 -7.2278 -7.1031 -7.0977 -2.1389 -2.1162 -2.1090 -2.0996 -0.7600 -0.5966 -0.5805 -0.5328 -0.4659 -0.3965 -0.1876 -0.1283 -0.1111 -0.0572 0.0281 0.0780 1.4652 1.4732 2.7012 2.7220 3.1151 3.1889 3.3758 3.3893 3.6164 3.6610 4.1940 4.2297 4.2391 4.2984 4.3917 4.4712 4.5217 4.5249 7.3276 7.3365 8.7138 8.7175 8.9781 8.9881 9.8323 9.8373 k = 0.2763 0.2079 0.8070 ( 5587 PWs) bands (ev): -7.4979 -7.4969 -7.3899 -7.3848 -7.2276 -7.2274 -7.1026 -7.0972 -2.1391 -2.1175 -2.1085 -2.0990 -0.7589 -0.6026 -0.5794 -0.5300 -0.4655 -0.3973 -0.2221 -0.1531 -0.0832 -0.0277 0.0378 0.0827 1.4720 1.4808 2.6860 2.7058 3.0976 3.1716 3.3754 3.3959 3.6306 3.6708 4.1915 4.2196 4.2403 4.3034 4.3928 4.4725 4.5268 4.5328 7.3235 7.3326 8.7084 8.7138 8.9835 8.9956 9.8309 9.8373 k = 0.2895 0.2178 0.7946 ( 5589 PWs) bands (ev): -7.5004 -7.4991 -7.3889 -7.3841 -7.2270 -7.2267 -7.1018 -7.0966 -2.1395 -2.1192 -2.1081 -2.0980 -0.7572 -0.6107 -0.5804 -0.5250 -0.4645 -0.3988 -0.2552 -0.1782 -0.0554 0.0006 0.0535 0.0910 1.4832 1.4928 2.6618 2.6805 3.0724 3.1459 3.3760 3.3993 3.6512 3.6862 4.1885 4.2078 4.2394 4.3093 4.3955 4.4769 4.5346 4.5434 7.3165 7.3259 8.7007 8.7073 8.9935 9.0077 9.8300 9.8375 k = 0.3026 0.2277 0.7822 ( 5589 PWs) bands (ev): -7.5031 -7.5015 -7.3880 -7.3835 -7.2261 -7.2258 -7.1009 -7.0959 -2.1401 -2.1212 -2.1081 -2.0968 -0.7550 -0.6206 -0.5831 -0.5188 -0.4625 -0.4015 -0.2843 -0.1998 -0.0334 0.0256 0.0739 0.1062 1.4985 1.5091 2.6302 2.6481 3.0414 3.1131 3.3776 3.4006 3.6738 3.7043 4.1843 4.1969 4.2369 4.3146 4.4001 4.4842 4.5453 4.5562 7.3069 7.3163 8.6915 8.6985 9.0081 9.0240 9.8302 9.8385 k = 0.3158 0.2375 0.7698 ( 5595 PWs) bands (ev): -7.5058 -7.5039 -7.3874 -7.3833 -7.2251 -7.2248 -7.1000 -7.0952 -2.1409 -2.1234 -2.1085 -2.0955 -0.7527 -0.6320 -0.5870 -0.5130 -0.4592 -0.4057 -0.3074 -0.2174 -0.0179 0.0454 0.0969 0.1314 1.5177 1.5291 2.5928 2.6107 3.0059 3.0744 3.3810 3.4013 3.6942 3.7214 4.1762 4.1906 4.2333 4.3187 4.4062 4.4927 4.5594 4.5713 7.2953 7.3043 8.6815 8.6882 9.0271 9.0442 9.8318 9.8407 k = 0.3289 0.2474 0.7574 ( 5597 PWs) bands (ev): -7.5082 -7.5061 -7.3872 -7.3834 -7.2239 -7.2236 -7.0992 -7.0946 -2.1419 -2.1257 -2.1091 -2.0942 -0.7508 -0.6445 -0.5915 -0.5087 -0.4554 -0.4109 -0.3228 -0.2305 -0.0074 0.0582 0.1241 0.1641 1.5404 1.5525 2.5514 2.5702 2.9665 3.0311 3.3865 3.4025 3.7099 3.7346 4.1656 4.1879 4.2295 4.3216 4.4126 4.5002 4.5774 4.5891 7.2825 7.2907 8.6716 8.6773 9.0500 9.0681 9.8350 9.8443 k = 0.3421 0.2573 0.7450 ( 5599 PWs) bands (ev): -7.5102 -7.5080 -7.3875 -7.3841 -7.2225 -7.2222 -7.0986 -7.0943 -2.1432 -2.1280 -2.1099 -2.0931 -0.7500 -0.6571 -0.5964 -0.5062 -0.4537 -0.4145 -0.3303 -0.2391 0.0002 0.0660 0.1550 0.1998 1.5661 1.5787 2.5078 2.5283 2.9243 2.9845 3.3937 3.4047 3.7195 3.7422 4.1554 4.1860 4.2265 4.3234 4.4179 4.5053 4.5988 4.6094 7.2693 7.2765 8.6623 8.6663 9.0760 9.0953 9.8396 9.8492 k = 0.3553 0.2672 0.7327 ( 5595 PWs) bands (ev): -7.5116 -7.5093 -7.3883 -7.3853 -7.2211 -7.2207 -7.0983 -7.0942 -2.1447 -2.1304 -2.1110 -2.0923 -0.7513 -0.6687 -0.6015 -0.5056 -0.4563 -0.4135 -0.3306 -0.2430 0.0061 0.0712 0.1873 0.2364 1.5942 1.6073 2.4636 2.4864 2.8801 2.9360 3.4018 3.4078 3.7226 3.7433 4.1464 4.1840 4.2249 4.3246 4.4211 4.5073 4.6222 4.6317 7.2571 7.2629 8.6540 8.6560 9.1045 9.1254 9.8451 9.8554 k = 0.3684 0.2771 0.7203 ( 5596 PWs) bands (ev): -7.5124 -7.5100 -7.3897 -7.3871 -7.2194 -7.2191 -7.0982 -7.0945 -2.1467 -2.1327 -2.1121 -2.0917 -0.7555 -0.6783 -0.6065 -0.5064 -0.4611 -0.4094 -0.3248 -0.2420 0.0109 0.0752 0.2192 0.2725 1.6243 1.6377 2.4203 2.4456 2.8351 2.8868 3.4090 3.4127 3.7192 3.7378 4.1391 4.1818 4.2247 4.3253 4.4216 4.5065 4.6453 4.6546 7.2469 7.2511 8.6463 8.6479 9.1345 9.1580 9.8509 9.8625 k = 0.3816 0.2870 0.7079 ( 5606 PWs) bands (ev): -7.5125 -7.5101 -7.3918 -7.3896 -7.2177 -7.2174 -7.0985 -7.0951 -2.1491 -2.1349 -2.1133 -2.0915 -0.7631 -0.6858 -0.6108 -0.5083 -0.4652 -0.4054 -0.3139 -0.2358 0.0151 0.0788 0.2497 0.3072 1.6556 1.6693 2.3791 2.4070 2.7903 2.8380 3.4132 3.4204 3.7097 3.7264 4.1335 4.1797 4.2258 4.3257 4.4192 4.5031 4.6663 4.6763 7.2396 7.2426 8.6388 8.6428 9.1654 9.1924 9.8563 9.8703 k = 0.3947 0.2969 0.6955 ( 5608 PWs) bands (ev): -7.5119 -7.5095 -7.3946 -7.3927 -7.2158 -7.2155 -7.0992 -7.0960 -2.1519 -2.1371 -2.1145 -2.0917 -0.7733 -0.6917 -0.6142 -0.5108 -0.4673 -0.4027 -0.2987 -0.2243 0.0190 0.0823 0.2779 0.3397 1.6875 1.7015 2.3412 2.3716 2.7466 2.7907 3.4161 3.4281 3.6946 3.7098 4.1296 4.1782 4.2276 4.3258 4.4141 4.4974 4.6836 4.6950 7.2360 7.2388 8.6331 8.6401 9.1963 9.2277 9.8603 9.8778 k = 0.4079 0.3068 0.6831 ( 5605 PWs) bands (ev): -7.5106 -7.5081 -7.3983 -7.3966 -7.2137 -7.2134 -7.1001 -7.0971 -2.1551 -2.1392 -2.1157 -2.0921 -0.7851 -0.6971 -0.6162 -0.5133 -0.4676 -0.4012 -0.2802 -0.2077 0.0228 0.0860 0.3032 0.3696 1.7192 1.7335 2.3074 2.3400 2.7051 2.7457 3.4180 3.4348 3.6747 3.6889 4.1274 4.1775 4.2296 4.3253 4.4065 4.4897 4.6962 4.7091 7.2367 7.2406 8.6297 8.6398 9.2265 9.2630 9.8617 9.8839 k = 0.4211 0.3167 0.6707 ( 5607 PWs) bands (ev): -7.5084 -7.5060 -7.4028 -7.4012 -7.2115 -7.2112 -7.1012 -7.0984 -2.1587 -2.1412 -2.1168 -2.0929 -0.7974 -0.7026 -0.6169 -0.5156 -0.4666 -0.4008 -0.2589 -0.1864 0.0268 0.0901 0.3250 0.3962 1.7498 1.7644 2.2785 2.3127 2.6670 2.7042 3.4186 3.4398 3.6507 3.6643 4.1265 4.1778 4.2315 4.3238 4.3972 4.4802 4.7033 4.7175 7.2426 7.2480 8.6287 8.6420 9.2553 9.2971 9.8595 9.8874 k = 0.4342 0.3266 0.6583 ( 5610 PWs) bands (ev): -7.5056 -7.5031 -7.4083 -7.4067 -7.2092 -7.2089 -7.1024 -7.0997 -2.1626 -2.1431 -2.1179 -2.0938 -0.8096 -0.7083 -0.6167 -0.5173 -0.4647 -0.4010 -0.2350 -0.1614 0.0311 0.0951 0.3429 0.4191 1.7785 1.7933 2.2550 2.2903 2.6330 2.6673 3.4174 3.4427 3.6237 3.6370 4.1267 4.1793 4.2328 4.3205 4.3869 4.4693 4.7049 4.7201 7.2540 7.2610 8.6304 8.6470 9.2817 9.3289 9.8525 9.8868 k = 0.4474 0.3365 0.6460 ( 5610 PWs) bands (ev): -7.5022 -7.4997 -7.4147 -7.4131 -7.2066 -7.2063 -7.1037 -7.1011 -2.1667 -2.1450 -2.1191 -2.0948 -0.8211 -0.7139 -0.6159 -0.5186 -0.4623 -0.4015 -0.2085 -0.1337 0.0360 0.1014 0.3566 0.4381 1.8042 1.8192 2.2372 2.2729 2.6043 2.6359 3.4139 3.4429 3.5949 3.6078 4.1276 4.1814 4.2333 4.3142 4.3767 4.4573 4.7011 4.7169 7.2708 7.2791 8.6349 8.6547 9.3049 9.3570 9.8403 9.8813 k = 0.4605 0.3464 0.6336 ( 5604 PWs) bands (ev): -7.4982 -7.4958 -7.4219 -7.4203 -7.2038 -7.2036 -7.1048 -7.1022 -2.1709 -2.1470 -2.1202 -2.0959 -0.8319 -0.7194 -0.6149 -0.5195 -0.4596 -0.4023 -0.1797 -0.1046 0.0421 0.1094 0.3660 0.4532 1.8260 1.8412 2.2248 2.2606 2.5816 2.6114 3.4075 3.4395 3.5660 3.5776 4.1284 4.1837 4.2330 4.3039 4.3676 4.4444 4.6930 4.7090 7.2924 7.3018 8.6423 8.6653 9.3236 9.3798 9.8230 9.8707 k = 0.4737 0.3563 0.6212 ( 5600 PWs) bands (ev): -7.4942 -7.4918 -7.4297 -7.4281 -7.2008 -7.2006 -7.1057 -7.1031 -2.1752 -2.1489 -2.1214 -2.0969 -0.8416 -0.7245 -0.6139 -0.5201 -0.4568 -0.4031 -0.1494 -0.0756 0.0500 0.1203 0.3712 0.4643 1.8433 1.8586 2.2174 2.2532 2.5657 2.5947 3.3971 3.4308 3.5392 3.5479 4.1280 4.1845 4.2328 4.2898 4.3594 4.4310 4.6818 4.6977 7.3179 7.3281 8.6523 8.6785 9.3364 9.3957 9.8008 9.8559 k = 0.4868 0.3662 0.6088 ( 5598 PWs) bands (ev): -7.4910 -7.4886 -7.4372 -7.4357 -7.1976 -7.1974 -7.1063 -7.1037 -2.1793 -2.1508 -2.1227 -2.0978 -0.8503 -0.7292 -0.6129 -0.5205 -0.4541 -0.4040 -0.1189 -0.0484 0.0605 0.1351 0.3728 0.4719 1.8554 1.8710 2.2141 2.2505 2.5570 2.5862 3.3812 3.4149 3.5169 3.5209 4.1248 4.1818 4.2330 4.2742 4.3506 4.4174 4.6694 4.6849 7.3465 7.3569 8.6648 8.6940 9.3417 9.4025 9.7743 9.8375 k = 0.5000 0.3761 0.5964 ( 5598 PWs) bands (ev): -7.4902 -7.4880 -7.4426 -7.4414 -7.1942 -7.1939 -7.1065 -7.1037 -2.1833 -2.1527 -2.1242 -2.0984 -0.8580 -0.7334 -0.6121 -0.5210 -0.4513 -0.4048 -0.0908 -0.0242 0.0750 0.1549 0.3715 0.4764 1.8623 1.8786 2.2140 2.2518 2.5557 2.5860 3.3584 3.3911 3.4969 3.5020 4.1169 4.1739 4.2311 4.2624 4.3395 4.4040 4.6577 4.6727 7.3768 7.3872 8.6791 8.7114 9.3379 9.3985 9.7430 9.8143 k = 0.5000 0.3761 0.5964 ( 5598 PWs) bands (ev): -7.4902 -7.4880 -7.4426 -7.4414 -7.1942 -7.1939 -7.1065 -7.1037 -2.1833 -2.1527 -2.1242 -2.0984 -0.8580 -0.7334 -0.6121 -0.5210 -0.4513 -0.4048 -0.0908 -0.0242 0.0750 0.1549 0.3715 0.4764 1.8623 1.8786 2.2140 2.2518 2.5557 2.5860 3.3584 3.3911 3.4969 3.5020 4.1169 4.1739 4.2311 4.2624 4.3395 4.4040 4.6577 4.6727 7.3768 7.3872 8.6791 8.7114 9.3379 9.3985 9.7430 9.8143 k = 0.5000 0.3761 0.5751 ( 5590 PWs) bands (ev): -7.4940 -7.4919 -7.4481 -7.4473 -7.1877 -7.1873 -7.1062 -7.1032 -2.1897 -2.1560 -2.1269 -2.0992 -0.8696 -0.7403 -0.6105 -0.5228 -0.4469 -0.4061 -0.0469 0.0133 0.1066 0.1942 0.3688 0.4819 1.8707 1.8885 2.2160 2.2573 2.5595 2.5924 3.3116 3.3433 3.4643 3.4796 4.0983 4.1546 4.2210 4.2502 4.3190 4.3827 4.6384 4.6529 7.4297 7.4396 8.7031 8.7406 9.3188 9.3774 9.6789 9.7608 k = 0.5000 0.3761 0.5538 ( 5598 PWs) bands (ev): -7.5004 -7.4981 -7.4527 -7.4512 -7.1807 -7.1801 -7.1053 -7.1022 -2.1955 -2.1594 -2.1301 -2.0998 -0.8798 -0.7472 -0.6084 -0.5263 -0.4430 -0.4071 -0.0064 0.0483 0.1438 0.2318 0.3707 0.4876 1.8805 1.9001 2.2186 2.2635 2.5632 2.5986 3.2630 3.2948 3.4357 3.4589 4.0792 4.1344 4.2099 4.2375 4.3006 4.3626 4.6174 4.6323 7.4817 7.4911 8.7224 8.7649 9.2927 9.3506 9.6059 9.6961 k = 0.5000 0.3761 0.5325 ( 5598 PWs) bands (ev): -7.5093 -7.5065 -7.4560 -7.4537 -7.1731 -7.1723 -7.1038 -7.1006 -2.2006 -2.1630 -2.1335 -2.1003 -0.8887 -0.7541 -0.6062 -0.5312 -0.4401 -0.4076 0.0289 0.0799 0.1868 0.2629 0.3818 0.4939 1.8919 1.9136 2.2218 2.2703 2.5665 2.6045 3.2146 3.2463 3.4111 3.4400 4.0596 4.1138 4.1979 4.2242 4.2843 4.3440 4.5951 4.6114 7.5318 7.5405 8.7352 8.7821 9.2609 9.3200 9.5268 9.6212 k = 0.5000 0.3761 0.5112 ( 5598 PWs) bands (ev): -7.5199 -7.5167 -7.4584 -7.4556 -7.1651 -7.1641 -7.1016 -7.0983 -2.2049 -2.1666 -2.1370 -2.1006 -0.8964 -0.7610 -0.6039 -0.5374 -0.4385 -0.4072 0.0585 0.1061 0.2336 0.2860 0.4052 0.5019 1.9053 1.9294 2.2256 2.2780 2.5693 2.6100 3.1681 3.1985 3.3903 3.4229 4.0398 4.0928 4.1850 4.2106 4.2700 4.3266 4.5719 4.5905 7.5788 7.5868 8.7400 8.7898 9.2237 9.2851 9.4443 9.5373 k = 0.5000 0.3761 0.4899 ( 5588 PWs) bands (ev): -7.5316 -7.5281 -7.4605 -7.4574 -7.1565 -7.1554 -7.0987 -7.0953 -2.2085 -2.1704 -2.1405 -2.1007 -0.9029 -0.7678 -0.6017 -0.5446 -0.4382 -0.4058 0.0826 0.1242 0.2755 0.3131 0.4361 0.5139 1.9207 1.9477 2.2301 2.2865 2.5713 2.6150 3.1246 3.1526 3.3729 3.4081 4.0197 4.0718 4.1713 4.1968 4.2576 4.3104 4.5484 4.5698 7.6217 7.6289 8.7359 8.7863 9.1793 9.2417 9.3628 9.4509 k = 0.5000 0.3761 0.4686 ( 5588 PWs) bands (ev): -7.5441 -7.5404 -7.4627 -7.4594 -7.1475 -7.1463 -7.0951 -7.0916 -2.2113 -2.1742 -2.1440 -2.1008 -0.9084 -0.7744 -0.5999 -0.5527 -0.4393 -0.4035 0.1010 0.1316 0.3025 0.3602 0.4645 0.5344 1.9384 1.9689 2.2353 2.2959 2.5725 2.6194 3.0851 3.1097 3.3587 3.3956 3.9997 4.0510 4.1569 4.1827 4.2470 4.2954 4.5249 4.5493 7.6594 7.6658 8.7225 8.7709 9.1241 9.1823 9.2889 9.3703 k = 0.5000 0.3761 0.4473 ( 5596 PWs) bands (ev): -7.5569 -7.5531 -7.4652 -7.4619 -7.1382 -7.1369 -7.0906 -7.0871 -2.2132 -2.1779 -2.1475 -2.1008 -0.9128 -0.7808 -0.5984 -0.5615 -0.4415 -0.4007 0.1121 0.1296 0.3274 0.4163 0.4840 0.5664 1.9583 1.9930 2.2412 2.3062 2.5725 2.6230 3.0504 3.0706 3.3475 3.3857 3.9797 4.0303 4.1420 4.1686 4.2382 4.2815 4.5019 4.5293 7.6908 7.6965 8.7000 8.7442 9.0553 9.1044 9.2261 9.3003 k = 0.5000 0.3761 0.4260 ( 5606 PWs) bands (ev): -7.5699 -7.5661 -7.4681 -7.4648 -7.1285 -7.1271 -7.0855 -7.0820 -2.2143 -2.1817 -2.1509 -2.1007 -0.9162 -0.7869 -0.5975 -0.5708 -0.4444 -0.3977 0.1071 0.1294 0.3553 0.4729 0.4990 0.6060 1.9804 2.0200 2.2480 2.3175 2.5711 2.6258 3.0210 3.0368 3.3391 3.3785 3.9598 4.0101 4.1267 4.1543 4.2311 4.2685 4.4796 4.5099 7.7150 7.7201 8.6689 8.7075 8.9746 9.0158 9.1723 9.2405 k = 0.5000 0.3761 0.4047 ( 5610 PWs) bands (ev): -7.5830 -7.5792 -7.4715 -7.4683 -7.1185 -7.1171 -7.0797 -7.0763 -2.2146 -2.1853 -2.1542 -2.1006 -0.9187 -0.7928 -0.5975 -0.5801 -0.4479 -0.3949 0.0879 0.1314 0.3847 0.5034 0.5383 0.6484 2.0044 2.0495 2.2554 2.3296 2.5681 2.6277 2.9967 3.0103 3.3332 3.3739 3.9403 3.9902 4.1111 4.1400 4.2257 4.2564 4.4584 4.4913 7.7312 7.7360 8.6296 8.6622 8.8869 8.9239 9.1263 9.1896 k = 0.5000 0.3761 0.3834 ( 5604 PWs) bands (ev): -7.5960 -7.5922 -7.4754 -7.4724 -7.1083 -7.1069 -7.0733 -7.0700 -2.2141 -2.1888 -2.1574 -2.1003 -0.9202 -0.7983 -0.5999 -0.5879 -0.4519 -0.3923 0.0629 0.1297 0.4137 0.5146 0.5961 0.6920 2.0299 2.0808 2.2637 2.3425 2.5635 2.6286 2.9770 2.9933 3.3297 3.3720 3.9212 3.9708 4.0955 4.1257 4.2217 4.2452 4.4385 4.4736 7.7391 7.7437 8.5826 8.6097 8.7969 8.8332 9.0887 9.1469 k = 0.5000 0.3761 0.3621 ( 5600 PWs) bands (ev): -7.6089 -7.6051 -7.4797 -7.4769 -7.0980 -7.0965 -7.0665 -7.0633 -2.2130 -2.1920 -2.1605 -2.1001 -0.9209 -0.8034 -0.6072 -0.5917 -0.4562 -0.3902 0.0343 0.1236 0.4407 0.5247 0.6543 0.7362 2.0563 2.1131 2.2727 2.3559 2.5571 2.6281 2.9632 2.9865 3.3284 3.3726 3.9025 3.9518 4.0798 4.1114 4.2192 4.2349 4.4200 4.4567 7.7386 7.7432 8.5286 8.5513 8.7086 8.7458 9.0600 9.1124 k = 0.5000 0.3761 0.3408 ( 5594 PWs) bands (ev): -7.6214 -7.6177 -7.4844 -7.4817 -7.0876 -7.0861 -7.0593 -7.0562 -2.2111 -2.1950 -2.1635 -2.0998 -0.9206 -0.8081 -0.6176 -0.5932 -0.4610 -0.3889 0.0035 0.1135 0.4646 0.5347 0.7115 0.7813 2.0828 2.1450 2.2823 2.3695 2.5491 2.6263 2.9573 2.9892 3.3291 3.3754 3.8843 3.9333 4.0641 4.0970 4.2176 4.2260 4.4031 4.4408 7.7302 7.7345 8.4687 8.4885 8.6244 8.6633 9.0396 9.0857 k = 0.5000 0.3761 0.3195 ( 5596 PWs) bands (ev): -7.6335 -7.6299 -7.4894 -7.4869 -7.0772 -7.0756 -7.0518 -7.0490 -2.2089 -2.1974 -2.1663 -2.0995 -0.9194 -0.8123 -0.6291 -0.5943 -0.4661 -0.3884 -0.0283 0.0997 0.4845 0.5447 0.7674 0.8274 2.1087 2.1750 2.2926 2.3827 2.5401 2.6231 2.9606 3.0015 3.3317 3.3804 3.8668 3.9153 4.0483 4.0826 4.2135 4.2217 4.3880 4.4258 7.7143 7.7180 8.4045 8.4233 8.5459 8.5859 9.0265 9.0659 k = 0.5000 0.3761 0.2982 ( 5600 PWs) bands (ev): -7.6452 -7.6418 -7.4946 -7.4923 -7.0669 -7.0653 -7.0443 -7.0416 -2.2067 -2.1990 -2.1691 -2.0992 -0.9173 -0.8160 -0.6410 -0.5957 -0.4715 -0.3892 -0.0603 0.0829 0.5004 0.5542 0.8218 0.8746 2.1333 2.2020 2.3032 2.3947 2.5308 2.6185 2.9740 3.0232 3.3361 3.3872 3.8499 3.8978 4.0325 4.0681 4.2062 4.2226 4.3745 4.4117 7.6918 7.6945 8.3380 8.3584 8.4737 8.5138 9.0189 9.0518 k = 0.5000 0.3761 0.2769 ( 5600 PWs) bands (ev): -7.6564 -7.6531 -7.4999 -7.4978 -7.0567 -7.0551 -7.0367 -7.0343 -2.2060 -2.1984 -2.1715 -2.0990 -0.9143 -0.8192 -0.6532 -0.5975 -0.4773 -0.3915 -0.0914 0.0638 0.5127 0.5627 0.8747 0.9226 2.1561 2.2249 2.3135 2.4042 2.5222 2.6130 2.9974 3.0539 3.3423 3.3956 3.8337 3.8808 4.0166 4.0535 4.1988 4.2254 4.3628 4.3984 7.6634 7.6647 8.2719 8.2965 8.4074 8.4467 9.0153 9.0420 k = 0.5000 0.3761 0.2556 ( 5596 PWs) bands (ev): -7.6670 -7.6638 -7.5052 -7.5033 -7.0468 -7.0452 -7.0292 -7.0270 -2.2069 -2.1957 -2.1735 -2.0989 -0.9102 -0.8217 -0.6656 -0.5997 -0.4835 -0.3959 -0.1205 0.0430 0.5222 0.5697 0.9261 0.9708 2.1769 2.2437 2.3230 2.4099 2.5159 2.6069 3.0304 3.0927 3.3503 3.4054 3.8184 3.8642 4.0005 4.0386 4.1920 4.2293 4.3529 4.3858 7.6292 7.6299 8.2089 8.2393 8.3465 8.3843 9.0139 9.0351 k = 0.5000 0.3761 0.2343 ( 5584 PWs) bands (ev): -7.6769 -7.6739 -7.5105 -7.5088 -7.0373 -7.0357 -7.0219 -7.0200 -2.2082 -2.1927 -2.1747 -2.0990 -0.9052 -0.8236 -0.6781 -0.6026 -0.4899 -0.4026 -0.1465 0.0211 0.5295 0.5749 0.9761 1.0186 2.1954 2.2588 2.3306 2.4103 2.5131 2.6009 3.0717 3.1383 3.3600 3.4164 3.8038 3.8483 3.9840 4.0236 4.1859 4.2340 4.3445 4.3738 7.5898 7.5917 8.1514 8.1880 8.2906 8.3266 9.0130 9.0299 k = 0.5000 0.3761 0.2130 ( 5572 PWs) bands (ev): -7.6861 -7.6834 -7.5156 -7.5140 -7.0283 -7.0267 -7.0149 -7.0132 -2.2094 -2.1907 -2.1741 -2.0992 -0.8991 -0.8248 -0.6905 -0.6065 -0.4966 -0.4119 -0.1684 -0.0014 0.5351 0.5782 1.0244 1.0652 2.2117 2.2707 2.3357 2.4052 2.5141 2.5952 3.1197 3.1892 3.3717 3.4286 3.7902 3.8328 3.9671 4.0083 4.1805 4.2392 4.3376 4.3622 7.5471 7.5500 8.1009 8.1432 8.2396 8.2734 9.0102 9.0251 k = 0.5000 0.3761 0.1917 ( 5568 PWs) bands (ev): -7.6946 -7.6920 -7.5204 -7.5190 -7.0198 -7.0182 -7.0083 -7.0068 -2.2104 -2.1905 -2.1712 -2.0997 -0.8919 -0.8252 -0.7029 -0.6115 -0.5034 -0.4236 -0.1857 -0.0239 0.5395 0.5799 1.0710 1.1100 2.2260 2.2803 2.3381 2.3957 2.5182 2.5901 3.1722 3.2427 3.3861 3.4423 3.7775 3.8180 3.9496 3.9926 4.1758 4.2445 4.3321 4.3510 7.5026 7.5060 8.0581 8.1050 8.1936 8.2251 8.9995 9.0186 k = 0.5000 0.3761 0.1704 ( 5566 PWs) bands (ev): -7.7022 -7.7000 -7.5249 -7.5237 -7.0120 -7.0104 -7.0021 -7.0008 -2.2111 -2.1917 -2.1667 -2.1004 -0.8836 -0.8248 -0.7150 -0.6183 -0.5102 -0.4372 -0.1982 -0.0461 0.5431 0.5802 1.1154 1.1521 2.2383 2.2879 2.3379 2.3835 2.5239 2.5860 3.2270 3.2949 3.4048 3.4581 3.7659 3.8039 3.9314 3.9765 4.1720 4.2493 4.3275 4.3403 7.4576 7.4609 8.0231 8.0730 8.1530 8.1816 8.9674 9.0044 k = 0.5000 0.3761 0.1491 ( 5570 PWs) bands (ev): -7.7091 -7.7070 -7.5290 -7.5280 -7.0050 -7.0034 -6.9963 -6.9953 -2.2115 -2.1935 -2.1613 -2.1015 -0.8743 -0.8233 -0.7267 -0.6273 -0.5164 -0.4515 -0.2062 -0.0675 0.5459 0.5794 1.1571 1.1911 2.2489 2.2939 2.3355 2.3698 2.5304 2.5826 3.2811 3.3401 3.4304 3.4781 3.7554 3.7905 3.9121 3.9600 4.1691 4.2530 4.3234 4.3309 7.4137 7.4164 7.9957 8.0465 8.1180 8.1433 8.9180 8.9705 k = 0.5000 0.3761 0.1278 ( 5570 PWs) bands (ev): -7.7150 -7.7133 -7.5327 -7.5318 -6.9988 -6.9973 -6.9911 -6.9903 -2.2116 -2.1955 -2.1554 -2.1030 -0.8640 -0.8208 -0.7381 -0.6390 -0.5217 -0.4655 -0.2103 -0.0880 0.5484 0.5777 1.1955 1.2262 2.2579 2.2985 2.3315 2.3558 2.5369 2.5799 3.3308 3.3734 3.4626 3.5074 3.7462 3.7780 3.8915 3.9426 4.1673 4.2545 4.3182 4.3247 7.3721 7.3740 7.9751 8.0243 8.0890 8.1103 8.8664 8.9213 k = 0.5000 0.3761 0.1065 ( 5576 PWs) bands (ev): -7.7201 -7.7186 -7.5359 -7.5352 -6.9934 -6.9921 -6.9865 -6.9859 -2.2114 -2.1976 -2.1494 -2.1050 -0.8530 -0.8170 -0.7487 -0.6536 -0.5257 -0.4785 -0.2111 -0.1072 0.5506 0.5755 1.2301 1.2569 2.2654 2.3019 2.3268 2.3425 2.5432 2.5777 3.3711 3.3974 3.4965 3.5495 3.7385 3.7665 3.8696 3.9243 4.1669 4.2523 4.3128 4.3219 7.3341 7.3354 7.9603 8.0053 8.0664 8.0829 8.8186 8.8700 k = 0.5000 0.3761 0.0852 ( 5572 PWs) bands (ev): -7.7242 -7.7231 -7.5386 -7.5380 -6.9891 -6.9880 -6.9826 -6.9822 -2.2110 -2.1997 -2.1434 -2.1074 -0.8419 -0.8116 -0.7583 -0.6706 -0.5279 -0.4899 -0.2092 -0.1251 0.5527 0.5729 1.2602 1.2825 2.2715 2.3038 2.3218 2.3307 2.5490 2.5758 3.3982 3.4167 3.5336 3.5983 3.7326 3.7561 3.8461 3.9044 4.1684 4.2458 4.3099 4.3201 7.3010 7.3019 7.9505 7.9887 8.0499 8.0612 8.7775 8.8223 k = 0.5000 0.3761 0.0639 ( 5582 PWs) bands (ev): -7.7275 -7.7266 -7.5407 -7.5402 -6.9856 -6.9848 -6.9794 -6.9791 -2.2103 -2.2017 -2.1376 -2.1103 -0.8314 -0.8049 -0.7659 -0.6893 -0.5285 -0.4997 -0.2050 -0.1414 0.5548 0.5701 1.2851 1.3024 2.2764 2.3037 2.3169 2.3223 2.5543 2.5739 3.4154 3.4309 3.5747 3.6459 3.7289 3.7471 3.8215 3.8825 4.1720 4.2355 4.3095 4.3187 7.2738 7.2747 7.9448 7.9743 8.0386 8.0452 8.7449 8.7809 k = 0.5000 0.3761 0.0426 ( 5578 PWs) bands (ev): -7.7297 -7.7291 -7.5422 -7.5419 -6.9832 -6.9826 -6.9771 -6.9769 -2.2094 -2.2036 -2.1320 -2.1137 -0.8220 -0.7997 -0.7682 -0.7088 -0.5273 -0.5081 -0.1988 -0.1562 0.5570 0.5673 1.3044 1.3162 2.2805 2.3000 2.3139 2.3178 2.5590 2.5718 3.4273 3.4391 3.6165 3.6847 3.7295 3.7401 3.7978 3.8581 4.1781 4.2230 4.3107 4.3174 7.2538 7.2545 7.9425 7.9623 8.0314 8.0346 8.7226 8.7478 k = 0.5000 0.3761 0.0213 ( 5590 PWs) bands (ev): -7.7310 -7.7307 -7.5430 -7.5429 -6.9816 -6.9813 -6.9756 -6.9756 -2.2082 -2.2053 -2.1268 -2.1176 -0.8137 -0.8007 -0.7608 -0.7281 -0.5246 -0.5150 -0.1907 -0.1694 0.5593 0.5645 1.3173 1.3233 2.2845 2.2942 2.3134 2.3154 2.5631 2.5694 3.4357 3.4421 3.6552 3.6990 3.7348 3.7383 3.7858 3.8311 4.1866 4.2099 4.3125 4.3159 7.2415 7.2420 7.9431 7.9530 8.0275 8.0286 8.7116 8.7246 k = 0.5000 0.3761 0.0000 ( 5598 PWs) bands (ev): -7.7314 -7.7314 -7.5433 -7.5433 -6.9810 -6.9810 -6.9751 -6.9751 -2.2069 -2.2069 -2.1220 -2.1220 -0.8064 -0.8064 -0.7461 -0.7461 -0.5205 -0.5205 -0.1809 -0.1809 0.5618 0.5618 1.3237 1.3237 2.2889 2.2889 2.3141 2.3141 2.5665 2.5665 3.4407 3.4407 3.6858 3.6858 3.7363 3.7363 3.8031 3.8031 4.1975 4.1975 4.3143 4.3143 7.2376 7.2376 7.9466 7.9466 8.0265 8.0265 8.7122 8.7122 k = 0.0000 0.0000 0.8317 ( 5612 PWs) bands (ev): -7.4972 -7.4972 -7.3889 -7.3889 -7.2253 -7.2253 -7.1001 -7.1001 -2.1248 -2.1248 -2.1050 -2.1050 -0.6587 -0.6587 -0.6157 -0.6157 -0.4983 -0.4983 -0.3388 -0.3388 -0.0609 -0.0609 0.4196 0.4196 1.8304 1.8304 2.2165 2.2165 2.5335 2.5335 3.6215 3.6215 3.7833 3.7833 4.2559 4.2559 4.3137 4.3137 4.6346 4.6346 4.7139 4.7139 7.0038 7.0038 8.4660 8.4660 9.1889 9.1889 9.7818 9.7818 k = 0.0167 0.0125 0.8317 ( 5592 PWs) bands (ev): -7.4972 -7.4972 -7.3891 -7.3886 -7.2254 -7.2254 -7.1003 -7.0998 -2.1262 -2.1235 -2.1053 -2.1046 -0.6687 -0.6518 -0.6165 -0.6092 -0.5018 -0.4948 -0.3414 -0.3360 -0.0636 -0.0561 0.4141 0.4172 1.8239 1.8252 2.2194 2.2226 2.5366 2.5465 3.6198 3.6203 3.7825 3.7830 4.2551 4.2559 4.3120 4.3147 4.6314 4.6333 4.7112 4.7116 7.0069 7.0077 8.4682 8.4687 9.1870 9.1874 9.7823 9.7825 k = 0.0333 0.0251 0.8317 ( 5598 PWs) bands (ev): -7.4971 -7.4971 -7.3894 -7.3883 -7.2255 -7.2254 -7.1006 -7.0995 -2.1276 -2.1222 -2.1057 -2.1043 -0.6801 -0.6479 -0.6133 -0.5969 -0.5055 -0.4915 -0.3438 -0.3328 -0.0643 -0.0494 0.4007 0.4070 1.8063 1.8090 2.2317 2.2368 2.5552 2.5740 3.6150 3.6161 3.7803 3.7815 4.2536 4.2553 4.3096 4.3152 4.6236 4.6275 4.7036 4.7043 7.0169 7.0184 8.4755 8.4764 9.1816 9.1825 9.7840 9.7845 k = 0.0500 0.0376 0.8317 ( 5608 PWs) bands (ev): -7.4970 -7.4970 -7.3896 -7.3880 -7.2256 -7.2256 -7.1010 -7.0993 -2.1290 -2.1210 -2.1060 -2.1039 -0.6914 -0.6456 -0.6076 -0.5808 -0.5089 -0.4883 -0.3461 -0.3289 -0.0631 -0.0410 0.3800 0.3894 1.7798 1.7839 2.2536 2.2590 2.5873 2.6133 3.6073 3.6089 3.7768 3.7786 4.2514 4.2542 4.3065 4.3150 4.6115 4.6177 4.6915 4.6926 7.0332 7.0355 8.4874 8.4888 9.1727 9.1741 9.7868 9.7875 k = 0.0667 0.0501 0.8317 ( 5616 PWs) bands (ev): -7.4969 -7.4968 -7.3899 -7.3877 -7.2258 -7.2258 -7.1013 -7.0990 -2.1304 -2.1200 -2.1064 -2.1035 -0.7023 -0.6434 -0.6002 -0.5631 -0.5113 -0.4853 -0.3482 -0.3240 -0.0600 -0.0311 0.3529 0.3651 1.7469 1.7524 2.2842 2.2884 2.6296 2.6616 3.5964 3.5986 3.7718 3.7744 4.2482 4.2527 4.3025 4.3143 4.5953 4.6045 4.6757 4.6773 7.0553 7.0584 8.5035 8.5055 9.1606 9.1625 9.7906 9.7916 k = 0.0833 0.0627 0.8317 ( 5606 PWs) bands (ev): -7.4967 -7.4966 -7.3901 -7.3875 -7.2260 -7.2260 -7.1016 -7.0988 -2.1317 -2.1190 -2.1068 -2.1031 -0.7123 -0.6408 -0.5917 -0.5471 -0.5101 -0.4825 -0.3498 -0.3176 -0.0555 -0.0202 0.3202 0.3352 1.7103 1.7170 2.3223 2.3246 2.6794 2.7163 3.5824 3.5851 3.7650 3.7687 4.2443 4.2508 4.2976 4.3131 4.5758 4.5886 4.6572 4.6592 7.0821 7.0859 8.5234 8.5257 9.1453 9.1477 9.7951 9.7965 k = 0.1000 0.0752 0.8317 ( 5602 PWs) bands (ev): -7.4965 -7.4964 -7.3903 -7.3872 -7.2263 -7.2262 -7.1018 -7.0986 -2.1329 -2.1182 -2.1071 -2.1027 -0.7214 -0.6376 -0.5826 -0.5396 -0.4990 -0.4797 -0.3507 -0.3092 -0.0499 -0.0085 0.2830 0.3005 1.6723 1.6799 2.3664 2.3664 2.7339 2.7752 3.5651 3.5683 3.7563 3.7613 4.2395 4.2487 4.2918 4.3114 4.5536 4.5710 4.6370 4.6395 7.1126 7.1171 8.5461 8.5489 9.1272 9.1302 9.8003 9.8020 k = 0.1167 0.0878 0.8317 ( 5598 PWs) bands (ev): -7.4963 -7.4962 -7.3904 -7.3869 -7.2266 -7.2265 -7.1021 -7.0985 -2.1341 -2.1176 -2.1075 -2.1022 -0.7296 -0.6338 -0.5734 -0.5404 -0.4789 -0.4772 -0.3502 -0.2984 -0.0435 0.0034 0.2423 0.2623 1.6346 1.6427 2.4124 2.4151 2.7912 2.8367 3.5448 3.5484 3.7451 3.7520 4.2340 4.2465 4.2851 4.3093 4.5295 4.5528 4.6161 4.6190 7.1454 7.1506 8.5709 8.5742 9.1069 9.1104 9.8058 9.8079 k = 0.1333 0.1003 0.8317 ( 5594 PWs) bands (ev): -7.4961 -7.4959 -7.3906 -7.3867 -7.2269 -7.2268 -7.1024 -7.0983 -2.1352 -2.1170 -2.1079 -2.1017 -0.7369 -0.6294 -0.5645 -0.5444 -0.4747 -0.4560 -0.3471 -0.2845 -0.0371 0.0151 0.1993 0.2215 1.5986 1.6069 2.4612 2.4665 2.8493 2.8990 3.5215 3.5256 3.7314 3.7409 4.2279 4.2443 4.2775 4.3070 4.5046 4.5349 4.5957 4.5989 7.1792 7.1851 8.5969 8.6004 9.0850 9.0891 9.8113 9.8139 k = 0.1500 0.1128 0.8317 ( 5594 PWs) bands (ev): -7.4959 -7.4957 -7.3907 -7.3865 -7.2272 -7.2271 -7.1026 -7.0982 -2.1361 -2.1166 -2.1082 -2.1013 -0.7431 -0.6245 -0.5565 -0.5496 -0.4725 -0.4342 -0.3394 -0.2674 -0.0313 0.0258 0.1552 0.1793 1.5652 1.5736 2.5111 2.5191 2.9066 2.9608 3.4960 3.5003 3.7150 3.7279 4.2215 4.2422 4.2693 4.3045 4.4798 4.5184 4.5767 4.5800 7.2126 7.2191 8.6228 8.6265 9.0624 9.0672 9.8167 9.8196 k = 0.1667 0.1254 0.8317 ( 5590 PWs) bands (ev): -7.4957 -7.4955 -7.3908 -7.3863 -7.2274 -7.2273 -7.1028 -7.0981 -2.1369 -2.1163 -2.1085 -2.1008 -0.7484 -0.6192 -0.5553 -0.5494 -0.4706 -0.4172 -0.3242 -0.2466 -0.0277 0.0344 0.1117 0.1374 1.5355 1.5439 2.5601 2.5709 2.9614 3.0203 3.4690 3.4734 3.6959 3.7134 4.2150 4.2403 4.2609 4.3020 4.4563 4.5039 4.5598 4.5631 7.2442 7.2513 8.6476 8.6514 9.0402 9.0458 9.8215 9.8248 k = 0.1833 0.1379 0.8317 ( 5586 PWs) bands (ev): -7.4955 -7.4953 -7.3909 -7.3861 -7.2277 -7.2275 -7.1030 -7.0980 -2.1376 -2.1161 -2.1088 -2.1005 -0.7527 -0.6137 -0.5613 -0.5437 -0.4690 -0.4065 -0.3001 -0.2221 -0.0292 0.0373 0.0721 0.0995 1.5102 1.5184 2.6060 2.6197 3.0119 3.0756 3.4423 3.4460 3.6746 3.6980 4.2087 4.2388 4.2530 4.2999 4.4350 4.4920 4.5455 4.5487 7.2725 7.2801 8.6701 8.6738 9.0197 9.0261 9.8256 9.8293 k = 0.2000 0.1504 0.8317 ( 5582 PWs) bands (ev): -7.4954 -7.4951 -7.3910 -7.3860 -7.2279 -7.2277 -7.1031 -7.0979 -2.1381 -2.1159 -2.1090 -2.1002 -0.7561 -0.6079 -0.5674 -0.5392 -0.4677 -0.4007 -0.2688 -0.1940 -0.0422 0.0228 0.0432 0.0778 1.4899 1.4979 2.6465 2.6629 3.0560 3.1241 3.4180 3.4202 3.6526 3.6830 4.2033 4.2376 4.2460 4.2982 4.4170 4.4829 4.5342 4.5371 7.2961 7.3042 8.6891 8.6926 9.0020 9.0093 9.8289 9.8328 k = 0.2167 0.1630 0.8317 ( 5580 PWs) bands (ev): -7.4952 -7.4950 -7.3910 -7.3859 -7.2280 -7.2279 -7.1032 -7.0979 -2.1385 -2.1158 -2.1091 -2.0999 -0.7585 -0.6021 -0.5735 -0.5361 -0.4667 -0.3979 -0.2328 -0.1626 -0.0710 -0.0111 0.0297 0.0746 1.4750 1.4829 2.6784 2.6973 3.0909 3.1624 3.3983 3.3988 3.6323 3.6700 4.1989 4.2367 4.2406 4.2970 4.4032 4.4765 4.5261 4.5287 7.3140 7.3224 8.7037 8.7068 8.9883 8.9964 9.8313 9.8354 k = 0.2333 0.1755 0.8317 ( 5588 PWs) bands (ev): -7.4952 -7.4950 -7.3911 -7.3859 -7.2281 -7.2280 -7.1033 -7.0979 -2.1387 -2.1157 -2.1092 -2.0998 -0.7600 -0.5967 -0.5790 -0.5342 -0.4661 -0.3966 -0.1940 -0.1287 -0.1089 -0.0494 0.0254 0.0756 1.4660 1.4737 2.6992 2.7198 3.1137 3.1869 3.3832 3.3870 3.6173 3.6610 4.1962 4.2362 4.2372 4.2965 4.3945 4.4727 4.5212 4.5235 7.3252 7.3338 8.7128 8.7156 8.9796 8.9883 9.8327 9.8369 k = 0.2500 0.1881 0.8317 ( 5576 PWs) bands (ev): -7.4952 -7.4949 -7.3911 -7.3858 -7.2281 -7.2280 -7.1033 -7.0978 -2.1388 -2.1157 -2.1093 -2.0997 -0.7604 -0.5939 -0.5819 -0.5336 -0.4660 -0.3962 -0.1621 -0.1410 -0.1011 -0.0788 0.0246 0.0762 1.4629 1.4706 2.7064 2.7276 3.1217 3.1953 3.3778 3.3831 3.6117 3.6578 4.1952 4.2360 4.2361 4.2963 4.3915 4.4715 4.5196 4.5218 7.3290 7.3377 8.7159 8.7186 8.9766 8.9855 9.8332 9.8374 Writing output data file Al2HgSe4.save init_run : 2.79s CPU 11.78s WALL ( 1 calls) electrons : 1046.78s CPU 1055.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 1046.75s CPU 1055.62s WALL ( 1 calls) v_of_rho : 0.24s CPU 0.98s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.22s CPU 0.67s WALL ( 1 calls) newd : 0.44s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.17s WALL ( 275 calls) cegterg : 1001.09s CPU 1007.43s WALL ( 642 calls) Called by sum_band: Called by *egterg: h_psi : 616.50s CPU 625.44s WALL ( 12069 calls) s_psi : 32.92s CPU 33.19s WALL ( 12069 calls) g_psi : 1.07s CPU 1.11s WALL ( 11152 calls) cdiaghg : 246.94s CPU 244.48s WALL ( 11427 calls) cegterg:over : 72.12s CPU 69.39s WALL ( 11152 calls) cegterg:upda : 18.43s CPU 21.83s WALL ( 11152 calls) cegterg:last : 15.63s CPU 16.58s WALL ( 2304 calls) Called by h_psi: h_psi:vloc : 543.95s CPU 550.92s WALL ( 12069 calls) h_psi:vnl : 72.09s CPU 73.51s WALL ( 12069 calls) add_vuspsi : 24.81s CPU 28.24s WALL ( 12069 calls) General routines calbec : 47.23s CPU 45.17s WALL ( 12069 calls) fft : 0.40s CPU 1.34s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 501.10s CPU 504.20s WALL ( 1422196 calls) interpolate : 0.14s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 1.57s WALL ( 550 calls) Parallel routines fft_scatter : 286.66s CPU 288.62s WALL ( 1422219 calls) PWSCF : 18m20.81s CPU 20m33.17s WALL This run was terminated on: 3:44:45 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=